SCHEMBL9689016

SCHEMBL9689016

COC(=O)Oc1cc2c(cn1)[nH]c1ccc(Oc3ccc(C#N)cn3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41
GABRA1 P14867 9/20 0.41
GABRG2 P18507 9/20 0.41
GABRB3 P28472 9/20 0.41
GABRA3 P34903 9/20 0.41
GABRA5 P31644 8/20 0.41
PDE4B Q07343 1/20 0.41
OPRM1 P35372 1/20 0.39
GABRA2 P47869 8/20 0.39
GABRA4 P48169 7/20 0.39
GABRA6 Q16445 7/20 0.39
GABRP O00591 5/20 0.39
GABRD O14764 5/20 0.39
GABRB1 P18505 5/20 0.39
GABRB2 P47870 5/20 0.39
GABRE P78334 5/20 0.39
GABRG1 Q8N1C3 5/20 0.39
GABRG3 Q99928 5/20 0.39
GABRQ Q9UN88 5/20 0.39

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
SCHEMBL9689663 0.86 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9687518 0.85 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9688204 0.82 GABRA1 (0.50) FPR2SCN9AGABRA1GABRG2GABRB3
SCHEMBL9689425 0.81 HSPB1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9536896 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9687542 0.76 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9688147 0.70 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9534278 0.70 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9536124 0.69 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9536390 0.68 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA5

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-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP claimed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed