SCHEMBL1835303

SCHEMBL1835303

CCC(c1ccccc1)C1C(NCc2ccccc2)N(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PAX8 Q06710 1/20 0.39
▸ PLD1 Q13393 5/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ PLD2 O14939 3/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL4674627 0.83 OPRM1 (0.41) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1835305 0.78 OPRM1 (0.42) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3403527 0.73 OPRM1 (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3403530 0.70 OPRM1 (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3403536 0.70 OPRM1 (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1835262 0.69 CHRM1 (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1837585 0.68 OPRM1 (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL27804043 0.67 OPRM1 (0.50) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3803735 0.66 OPRM1 (0.49) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3721847 0.66 C5AR1 (0.40) OPRM1OPRK1OPRL1ALDH1A1KDM4E

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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