SCHEMBL9535771

SCHEMBL9535771

CCc1noc(-c2ncc3[nH]c4cccc(Oc5ccc(Cl)cc5)c4c3c2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.38
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37

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
SCHEMBL9534728 0.92 GABRP (0.39) TDP1MAPTMEN1GABRPGABRD
SCHEMBL9368136 0.88 GABRA1 (0.39) OPRL1TDP1MAPTGABRPGABRD
SCHEMBL9533636 0.87 MAPT (0.36) TDP1MAPTMEN1GABRPGABRD
SCHEMBL9534097 0.83 OPRL1 (0.40) OPRL1GABRPGABRDGABRA1GABRB1
SCHEMBL10374211 0.81 GABRA1 (0.48) TDP1MAPTMEN1GABRPGABRD
SCHEMBL10730041 0.81 GABRA1 (0.39) TDP1MAPTMEN1GABRPGABRD
SCHEMBL9534001 0.79 GABRA1 (0.38) OPRL1TDP1MAPTGABRPGABRD
SCHEMBL9534800 0.79 GABRA1 (0.44) TDP1MAPTMEN1GABRPGABRD
SCHEMBL10374244 0.78 GABRA1 (0.35) OPRL1TDP1MAPTMEN1GABRP
SCHEMBL9687709 0.78 GABRP (0.38) OPRL1TDP1MAPTGABRPGABRD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP claimed
US-4945090-A ANXIOLYTIC AGENTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1990-07-31 US claimed
EP-0234173-B1 PHENOXY-SUBSTITUTED BETA-CARBOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed