SCHEMBL1835262

SCHEMBL1835262

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CALCRL Q16602 1/20 0.42
▸ PLD2 O14939 3/20 0.41
▸ PLD1 Q13393 3/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HSD11B1 P28845 4/20 0.40

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
SCHEMBL1834990 0.95 OPRM1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1836256 0.95 CHRM2 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1841561 0.95 ALDH1A1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1838782 0.93 OPRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1834569 0.93 CYP3A4 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1835180 0.93 CHRM2 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1835799 0.93 OPRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1837577 0.93 CHRM2 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1831699 0.93 ALDH1A1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1832645 0.92 CHRM2 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3

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-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
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP disclosed
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