Alprazolam

Alprazolam

SCHEMBL3664716

Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2.O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Alprazolam. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 8/20 0.66
GABRA5 known ✓ P31644 8/20 0.66
GABRA2 known ✓ P47869 8/20 0.66
GABRB2 known ✓ P47870 7/20 0.66
GABRA3 known ✓ P34903 6/20 0.66
GABRG2 known ✓ P18507 1/20 0.49
GABRB3 known ✓ P28472 1/20 0.49
OPRK1 P41145 4/20 0.60
HPGD P15428 3/20 0.60
CNR1 P21554 2/20 0.60
BRD4 O60885 2/20 0.60
LMNA P02545 2/20 0.60
ADRA1A P35348 2/20 0.59
PDE4D Q08499 2/20 0.53
NTSR1 P30989 1/20 0.53
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Adinazolam SCHEMBL28086683 0.89 OPRK1 (0.63) GABRA1GABRA5GABRA2GABRB2GABRA3
Diazepam SCHEMBL8329713 0.86 ADRA1A (0.64) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11620342 0.81 GABRA1 (0.77) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL29385106 0.81 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL11624016 0.81 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Diazepam SCHEMBL10351230 0.79 ADRA1A (0.54) GABRA1GABRA5GABRA2GABRB2GABRA3
Brotizolam SCHEMBL1005083 0.79 PTAFR (0.64) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL16922178 0.78 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL8398 0.78 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3
Alprazolam SCHEMBL5480614 0.78 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRB2GABRA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2219612-A1 MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION Labopharm Inc. (CA) 2010-08-25 EP disclosed
WO-2009076764-A1 MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION LABOPHARM INC. (CA) 2009-06-25 WO disclosed