SCHEMBL9688499

SCHEMBL9688499

COCc1c(OC(=O)NC(C)C)ncc2[nH]c3cccc(Oc4ccc(Cl)cn4)c3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 9/20 0.42
GABRA1 P14867 7/20 0.42
GABRG2 P18507 7/20 0.42
GABRB3 P28472 7/20 0.42
GABRA3 P34903 7/20 0.42
GABRA2 P47869 7/20 0.42
GABRP O00591 6/20 0.42
GABRD O14764 6/20 0.42
GABRB1 P18505 6/20 0.42
GABRB2 P47870 6/20 0.42
GABRA4 P48169 6/20 0.42
GABRE P78334 6/20 0.42
GABRA6 Q16445 6/20 0.42
GABRG1 Q8N1C3 6/20 0.42
GABRG3 Q99928 6/20 0.42
GABRQ Q9UN88 6/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9537840 0.90 GABRA1 (0.43) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9688661 0.90 GABRA1 (0.47) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9688092 0.88 GABRA1 (0.42) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9688590 0.88 GABRA5 (0.49) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9688108 0.86 GABRA1 (0.50) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9537235 0.85 GABRA1 (0.49) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9688616 0.82 GABRA1 (0.54) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9689355 0.81 GABRA1 (0.57) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9535582 0.81 GABRA1 (0.44) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL9538939 0.80 GABRA1 (0.41) GABRA5GABRA1GABRG2GABRB3GABRA3

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