SCHEMBL1834569

SCHEMBL1834569

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ NPY5R Q15761 4/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ PAX8 Q06710 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 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
SCHEMBL1835262 0.93 CHRM1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1832645 0.88 CHRM2 (0.39) CYP3A4CHRM2CHRM4CHRM5CHRM1
SCHEMBL1836256 0.88 CHRM2 (0.43) CYP3A4CHRM2CHRM4CHRM5CHRM1
SCHEMBL1834990 0.88 OPRM1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1841561 0.88 ALDH1A1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1838782 0.87 OPRM1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1835799 0.86 OPRM1 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1837577 0.86 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1835180 0.86 CHRM2 (0.39) CYP3A4CHRM2CHRM4CHRM5CHRM1
SCHEMBL1838930 0.86 TNKS (0.39) CYP3A4CHRM2CHRM4CHRM5CHRM1

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-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 — — EP claimed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 — — EP claimed
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