SCHEMBL1834571

SCHEMBL1834571

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1CCCN(Cc1ccccc1)Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.44
OPRK1 P41145 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CYP3A4 P08684 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 2/20 0.40
MLNR O43193 1/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 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
SCHEMBL1835272 0.93 OPRM1 (0.50) OPRK1OPRM1OPRL1BCHEACHE
SCHEMBL3403017 0.93 OPRM1 (0.50) OPRK1OPRM1OPRL1BCHEACHE
SCHEMBL1839287 0.89 CYP3A4 (0.51) OPRK1OPRM1OPRL1CYP3A4BCHE
SCHEMBL1832648 0.88 OPRK1 (0.43) OPRK1OPRM1OPRL1CYP3A4BCHE
SCHEMBL1832267 0.88 OPRK1 (0.43) OPRK1OPRM1OPRL1CYP3A4BCHE
SCHEMBL1837014 0.88 CALCRL (0.48) OPRK1OPRM1OPRL1CYP3A4BCHE
SCHEMBL1838176 0.88 OPRK1 (0.50) OPRK1OPRM1OPRL1CYP3A4BCHE
SCHEMBL1836260 0.88 OPRK1 (0.50) OPRK1OPRM1OPRL1CYP3A4BCHE
SCHEMBL3399651 0.88 OPRM1 (0.52) OPRK1OPRM1OPRL1BCHEACHE
SCHEMBL1834994 0.88 OPRM1 (0.52) OPRK1OPRM1OPRL1CYP3A4BCHE

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