SCHEMBL11712980

SCHEMBL11712980

CN(C)Cc1ncc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 11/20 0.58
GABRA1 P14867 7/20 0.58
GABRA2 P47869 7/20 0.58
GABRA5 P31644 6/20 0.58
GABRB2 P47870 5/20 0.58
ADRA1A P35348 1/20 0.45
CYP3A4 P08684 2/20 0.42
OPRK1 P41145 2/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
SLC22A1 O15245 1/20 0.38
ABCB11 O95342 1/20 0.38
DRD3 P35462 1/20 0.38
PDE4D Q08499 1/20 0.38
GABRG2 P18507 7/20 0.38
GABRB3 P28472 7/20 0.38
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7311148 0.84 GABRA3 (0.70) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL7425412 0.84 GABRA1 (0.73) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11732204 0.82 GABRA3 (0.64) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11829771 0.79 GABRA3 (0.65) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL10747495 0.77 GABRA1 (0.70) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11603673 0.77 GABRA1 (0.70) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11727011 0.76 GABRA3 (0.53) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11828965 0.76 GABRA3 (0.73) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL29783033 0.76 GABRA3 (0.73) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11838585 0.76 GABRA3 (0.69) GABRA3GABRA1GABRA2GABRA5GABRB2

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
US-4005099-A 1-[(Dimethylamino)-methyl]-6-aryl-4H-imidazo[1,5-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1977-01-25 US claimed
US-4005099-A 1-[(Dimethylamino)-methyl]-6-aryl-4H-imidazo[1,5-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1977-01-25 US disclosed