SCHEMBL11713247

SCHEMBL11713247

OCc1cnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 11/20 0.63
GABRA1 P14867 7/20 0.63
GABRA2 P47869 7/20 0.63
GABRA5 P31644 6/20 0.63
GABRB2 P47870 5/20 0.63
ADRA1A P35348 1/20 0.47
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
GABRG2 P18507 7/20 0.37
GABRB3 P28472 7/20 0.37
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL11732204 0.88 GABRA3 (0.64) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL29783033 0.84 GABRA3 (0.73) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11828965 0.84 GABRA3 (0.73) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11834518 0.81 GABRA3 (0.63) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL19006771 0.81 GABRA3 (0.66) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11709742 0.81 GABRA3 (0.66) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11838549 0.80 GABRA1 (0.70) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11727011 0.80 GABRA3 (0.53) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL11865356 0.79 GABRA1 (0.80) GABRA3GABRA1GABRA2GABRA5GABRB2
SCHEMBL7380104 0.79 GABRA3 (0.58) 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 1 patent. 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 disclosed