SCHEMBL1839815

SCHEMBL1839815

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.48
▸ OPRL1 P41146 2/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ PLD1 Q13393 7/20 0.44
▸ PLD2 O14939 4/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CALCRL Q16602 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
SCHEMBL1836553 0.91 KDM4E (0.49) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1833680 0.90 OPRM1 (0.51) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1837643 0.89 OPRM1 (0.50) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1833973 0.86 OPRM1 (0.46) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1831375 0.85 OPRM1 (0.52) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1839221 0.85 OPRM1 (0.53) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1839281 0.85 CYP3A4 (0.49) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1836588 0.85 OPRM1 (0.51) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL4677793 0.84 KDM4E (0.52) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL4679191 0.84 OPRM1 (0.53) OPRM1OPRL1OPRK1KDM4EALDH1A1

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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