SCHEMBL1835803

SCHEMBL1835803

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCCN(Cc1ccccc1)Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.54
CHRM1 P11229 3/20 0.48
OPRK1 P41145 2/20 0.46
OPRL1 P41146 1/20 0.46
USP2 O75604 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
PMP22 Q01453 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
SLC22A2 O15244 1/20 0.44
NR1I2 O75469 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL1832664 1.00 OPRM1 (0.54) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL1838747 0.96 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL1835997 0.95 OPRM1 (0.55) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL3806892 0.95 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL4895067 0.95 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL3670016 0.94 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL1834994 0.93 OPRM1 (0.52) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL1835272 0.93 OPRM1 (0.50) OPRM1CHRM1OPRK1OPRL1CYP2D6
SCHEMBL3403017 0.93 OPRM1 (0.50) OPRM1CHRM1OPRK1OPRL1CYP2D6
SCHEMBL4682970 0.91 CHRM1 (0.52) OPRM1CHRM1OPRK1USP2CYP1A2

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