SCHEMBL3403530

SCHEMBL3403530

CC(CC1C(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.44
▸ OPRL1 P41146 2/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PLD1 Q13393 6/20 0.40
▸ PLD2 O14939 2/20 0.40
▸ CHRM1 P11229 2/20 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
▸ HSD11B1 P28845 1/20 0.39
▸ CALCRL Q16602 1/20 0.39

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
SCHEMBL3403536 1.00 OPRM1 (0.44) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL4677810 0.83 OPRM1 (0.50) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL4677814 0.83 OPRM1 (0.50) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL3403527 0.82 OPRM1 (0.44) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1837585 0.81 OPRM1 (0.44) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1841565 0.79 OPRM1 (0.48) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1833680 0.79 OPRM1 (0.51) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1833753 0.77 OPRM1 (0.43) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1840397 0.76 OPRM1 (0.56) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1835262 0.76 CHRM1 (0.44) 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 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 disclosed
Send feedback