SCHEMBL6533560

SCHEMBL6533560

COc1ccc(-c2ccc(CCN(C(=O)C(C)Cl)c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.53
CHRM1 P11229 4/20 0.53
CHRM3 P20309 4/20 0.53
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
ALOX5 P09917 2/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
LPAR1 Q92633 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
RNF4 P78317 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LPAR5 Q9H1C0 1/20 0.42

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
SCHEMBL6533555 0.85 ALDH1A1 (0.47) CHRM5CHRM1CHRM3ALDH1A1LPAR1
SCHEMBL11225170 0.79 CHRM5 (0.60) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10693309 0.77 ALOX5 (0.58) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10896138 0.75 TP53 (0.43) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL4560242 0.75 NPC1 (0.60) CHRM5CHRM1CHRM3ALOX5LPAR1
SCHEMBL14443063 0.73 LTB4R2 (0.50) KMT2AMEN1ALDH1A1NPSR1NPC1
SCHEMBL10694993 0.73 CHRM5 (0.54) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL6716281 0.73 AOC3 (0.50) CHRM1CHRM3CHRM2ALOX5ALDH1A1
SCHEMBL1581559 0.72 CHRM5 (0.44) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL1581211 0.71 ALDH1A1 (0.52) CHRM5CHRM1CHRM3CHRM2KMT2A

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
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed