SCHEMBL9689486

SCHEMBL9689486

COCc1cnc(C(=O)O)c2[nH]c3cccc(Oc4ccc(Cl)cn4)c3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.40
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRE P78334 3/20 0.40
GABRA6 Q16445 3/20 0.40
GABRG1 Q8N1C3 3/20 0.40
GABRG3 Q99928 3/20 0.40
GABRQ Q9UN88 3/20 0.40
PPARG P37231 1/20 0.36
LIPE Q05469 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL9688616 0.85 GABRA1 (0.54) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9687656 0.84 GABRP (0.41) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9688273 0.79 GABRP (0.50) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9688661 0.77 GABRA1 (0.47) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9687594 0.76 GABRA1 (0.68) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9688590 0.76 GABRA5 (0.49) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9689355 0.76 GABRA1 (0.57) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL8849695 0.73 GABRA1 (0.56) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9689324 0.72 GABRA1 (0.67) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9688108 0.71 GABRA1 (0.50) GABRA5GABRPGABRDGABRA1GABRB1

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
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed