SCHEMBL9075671

SCHEMBL9075671

COCc1c(C(=O)c2ccccc2)ncc2[nH]c3cccc(Cc4ccccc4Cl)c3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.50
GABRG2 P18507 13/20 0.50
GABRB3 P28472 13/20 0.50
GABRA5 P31644 13/20 0.50
GABRA3 P34903 13/20 0.50
GABRA2 P47869 11/20 0.50
GABRP O00591 10/20 0.50
GABRD O14764 10/20 0.50
GABRB1 P18505 10/20 0.50
GABRB2 P47870 10/20 0.50
GABRA4 P48169 10/20 0.50
GABRE P78334 10/20 0.50
GABRA6 Q16445 10/20 0.50
GABRG1 Q8N1C3 10/20 0.50
GABRG3 Q99928 10/20 0.50
GABRQ Q9UN88 10/20 0.50
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9076036 0.89 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9583395 0.89 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9076193 0.86 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9073569 0.86 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074420 0.85 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9584639 0.85 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9075745 0.81 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9752631 0.80 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9583534 0.80 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9523997 0.79 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506234-A PSYCHOPHARMACEUTICAL AGENTS WHICH BIND TO BENZODIAZEPINE RECEPTORS; ANXIOLYTIC AGENTS; MINIMAL SIDE EFFECTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-04-09 US claimed
EP-0557497-A1 NEW $g(b)-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-01 EP claimed
WO-1993006100-A1 NEW β-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 WO claimed
US-5506234-A PSYCHOPHARMACEUTICAL AGENTS WHICH BIND TO BENZODIAZEPINE RECEPTORS; ANXIOLYTIC AGENTS; MINIMAL SIDE EFFECTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
EP-0557497-A1 NEW $g(b)-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-01 EP disclosed
WO-1993006100-A1 NEW β-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed