SCHEMBL9687528

SCHEMBL9687528

CCc1noc(-c2cc3c(cn2)[nH]c2cccc(Oc4ncccn4)c23)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.32
GABRP O00591 3/20 0.31
GABRD O14764 3/20 0.31
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA2 P47869 3/20 0.31
GABRB2 P47870 3/20 0.31
GABRA4 P48169 3/20 0.31
GABRE P78334 3/20 0.31
GABRA6 Q16445 3/20 0.31
GABRG1 Q8N1C3 3/20 0.31
GABRG3 Q99928 3/20 0.31
GABRQ Q9UN88 3/20 0.31
CNR2 P34972 1/20 0.31
CBFB Q13951 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL9687853 0.87 MEN1 (0.36) OPRL1GABRPGABRDGABRA1GABRB1
SCHEMBL10375472 0.85 GABRA1 (0.43) OPRL1GABRPGABRDGABRA1GABRB1
SCHEMBL9688595 0.84 OPRL1 (0.37) OPRL1GABRPGABRDGABRA1GABRB1
SCHEMBL10376617 0.83 PLAT (0.35) OPRL1GABRPGABRDGABRA1GABRB1
SCHEMBL9534379 0.82 MAPT (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688097 0.81 MAPT (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10375466 0.80 OPRL1 (0.36) OPRL1GABRPGABRDGABRA1GABRB1
SCHEMBL7491336 0.78 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9688545 0.78 GABRA1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9535569 0.73 GABRA1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2

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 5 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-4960777-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
EP-0237467-B1 HETEROARYL-OXY-BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
US-4960777-A Anxiolytic agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4877792-A ANXIOLYTIC AGENTS; ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed