SCHEMBL9689048

SCHEMBL9689048

CCc1noc(-c2ncc3[nH]c4cccc(-c5ccc(Cl)cn5)c4c3c2COC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 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
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL9687709 0.87 GABRP (0.38) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9368136 0.83 GABRA1 (0.39) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL10375636 0.81 GABRA1 (0.47) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9535162 0.80 GABRP (0.41) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL10417413 0.80 GABRA1 (0.47) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9534001 0.80 GABRA1 (0.38) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL10374196 0.80 GABRA1 (0.39) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL10374366 0.80 GABRA1 (0.43) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL10376611 0.80 GABRA1 (0.44) GABRA5GABRPGABRDGABRA1GABRB1
SCHEMBL9688545 0.78 GABRA1 (0.40) 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 1 patent. 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