SCHEMBL1835799

SCHEMBL1835799

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.47
▸ CHRM1 P11229 4/20 0.44
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ PAX8 Q06710 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD11B1 P28845 3/20 0.38
▸ DRD2 P14416 1/20 0.38

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 0.93 OPRM1 (0.46) OPRM1CHRM1USP2CYP1A2CYP2D6
SCHEMBL1835262 0.93 CHRM1 (0.44) OPRM1CHRM1OPRK1OPRL1CHRM2
SCHEMBL1833772 0.89 OPRM1 (0.44) OPRM1CHRM1OPRK1OPRL1CHRM2
SCHEMBL1835016 0.89 OPRM1 (0.50) OPRM1CHRM1OPRK1OPRL1CHRM2
SCHEMBL1836256 0.88 CHRM2 (0.43) OPRM1CHRM1USP2CYP1A2CYP2D6
SCHEMBL1834960 0.88 OPRM1 (0.41) OPRM1CHRM1TSHROPRK1OPRL1
SCHEMBL1841561 0.88 ALDH1A1 (0.44) OPRM1CHRM1CYP2D6OPRK1OPRL1
SCHEMBL1835180 0.88 CHRM2 (0.39) OPRM1CHRM1OPRK1OPRL1CHRM2
SCHEMBL1838782 0.87 OPRM1 (0.48) OPRM1CHRM1OPRK1OPRL1CHRM2
SCHEMBL1840494 0.86 CALCRL (0.43) OPRM1CHRM1OPRK1OPRL1CHRM2

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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