SCHEMBL3403282

SCHEMBL3403282

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ 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
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CALCRL Q16602 2/20 0.37
▸ PLD2 O14939 3/20 0.36
▸ PLD1 Q13393 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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 0.92 CHRM1 (0.44) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1834990 0.89 OPRM1 (0.46) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1836256 0.89 CHRM2 (0.43) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1838782 0.88 OPRM1 (0.48) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1841561 0.87 ALDH1A1 (0.44) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1835180 0.85 CHRM2 (0.39) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1834569 0.85 CYP3A4 (0.41) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1835799 0.85 OPRM1 (0.47) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1837577 0.85 CHRM2 (0.39) OPRM1OPRL1OPRK1CHRM2CHRM4
SCHEMBL1831699 0.85 ALDH1A1 (0.41) OPRM1OPRL1OPRK1CHRM2CHRM4

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
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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