| 1,4-Benzodiazepine coreAbstract pharmacophorebenzodiazepine-corePage | Scaffold | CN1C(=O)CN=C(C2=C1C=CC=C2)C3=CC=CC=C3 | — | — | GABA-A · core · Shared pharmacophore / core scaffold. Anchor for the Benzodiazepine GABA-A modulators line… |
| Alprazolam (Xanax)Verified drugalprazolamPage | Drug | CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=C… | 1,4-Benzodiazepine core | — | anxiolytic · FDA · approved · triazolo · Approved therapeutic. Alprazolam (Xanax) in this family map. |
| Clonazepam (Klonopin)Verified drugclonazepamPage | Drug | C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C… | 1,4-Benzodiazepine core | — | anxiolytic · FDA · approved · anticonvulsant · Approved therapeutic. Clonazepam (Klonopin) in this family map. |
| Diazepam (Valium)Verified drugdiazepamPage | Drug | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 | 1,4-Benzodiazepine core | 71%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | anxiolytic · FDA · Clinical or approved drug node — Diazepam (Valium). · CHEMBL12 · CID 3016 |
| Lorazepam (Ativan)Known compoundlorazepamPage | Drug | OC1N=C(C2=CC=CC=C2)C3=C(N1C(=O)C)C=CC(Cl)=… | 1,4-Benzodiazepine core | 29%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | anxiolytic · hydroxylated · Clinical or approved drug node — Lorazepam (Ativan). · CHEMBL697 · CID 3958 |
| Midazolam (Versed)Exploratory analogmidazolamPage | Drug | CC1=NC=C2C=C(C=CC=C2N1C3=CC=CC=C3F)Cl | 1,4-Benzodiazepine core | 18%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | sedative · imidazo fusion · Clinical or approved drug node — Midazolam (Versed). |
| Methyl-substituted analogExploratory analog (rule-generated)benzodiazepine-methyl-analogPage | Derivative | CN1C(=O)CN=C(C2=C1C=CC(=C2)C)C3=CC=CC=C3 | 1,4-Benzodiazepine core | 73%iStructural similarity calculated using Morgan fingerprint (RDKit circular fingerprint, radius 2, 2048 bits) with Tanimoto similarity. Structural similarity does not predict biological equivalence, potency, safety, or clinical efficacy. | SAR · SAR exploration node. Derived analog of parent node in Benzodiazepine GABA-A modulators. |