SCHEMBL9752631

SCHEMBL9752631

COCc1c(C(=O)c2ccccc2)ncc2[nH]c3cccc(OCc4ccccc4)c3c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.76
GABRG2 P18507 12/20 0.76
GABRB3 P28472 12/20 0.76
GABRA5 P31644 12/20 0.76
GABRA3 P34903 12/20 0.76
GABRA2 P47869 11/20 0.76
GABRP O00591 9/20 0.76
GABRD O14764 9/20 0.76
GABRB1 P18505 9/20 0.76
GABRB2 P47870 9/20 0.76
GABRA4 P48169 9/20 0.76
GABRE P78334 9/20 0.76
GABRA6 Q16445 9/20 0.76
GABRG1 Q8N1C3 9/20 0.76
GABRG3 Q99928 9/20 0.76
GABRQ Q9UN88 9/20 0.76
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.44

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
SCHEMBL9584297 0.94 GABRA1 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845300 0.91 GABRA1 (0.80) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9082037 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623807 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623763 0.87 GABRA1 (0.75) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845201 0.86 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8473459 0.85 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8845445 0.85 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31623770 0.85 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9583395 0.84 GABRA1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460153-A1 NEW-$g(b)-CARBOLINS, PROCESS FOR PREPARING THEM AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-11 EP disclosed
WO-1991009858-A1 NEW-β-CARBOLINS, PROCESS FOR PREPARING THEM AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-07-11 WO disclosed