SCHEMBL3400121

SCHEMBL3400121

O=C(O)N1CCCC(n2c(=O)[nH]c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.46
OPRM1 P35372 7/20 0.46
OPRL1 P41146 6/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRD1 P41143 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRM4 P08173 1/20 0.43
CYP2D6 P10635 2/20 0.41
MLNR O43193 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL3403017 0.95 OPRM1 (0.50) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL1835272 0.95 OPRM1 (0.50) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL1836260 0.90 OPRK1 (0.50) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL3399651 0.90 OPRM1 (0.52) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL1834994 0.90 OPRM1 (0.52) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL1838176 0.90 OPRK1 (0.50) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL3400375 0.90 OPRM1 (0.47) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL1831703 0.90 OPRM1 (0.47) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL1833775 0.89 OPRM1 (0.47) OPRK1OPRM1OPRL1KDM4EALDH1A1
SCHEMBL1836451 0.89 OPRM1 (0.47) OPRK1OPRM1OPRL1KDM4EALDH1A1

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 claimed