SCHEMBL1834570

SCHEMBL1834570

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCN(Cc2ccccc2)Cc2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
NPY5R Q15761 4/20 0.41
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL1835267 0.93 OPRM1 (0.43) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1834480 0.90 OPRM1 (0.42) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1841563 0.90 OPRM1 (0.42) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1832646 0.88 BCHE (0.38) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1834992 0.88 OPRM1 (0.46) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1836258 0.88 PLD1 (0.44) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1831701 0.88 OPRM1 (0.41) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1837578 0.87 OPRM1 (0.38) CYP3A4OPRM1OPRK1OPRL1BCHE
SCHEMBL1838783 0.86 OPRM1 (0.47) OPRM1OPRK1OPRL1BCHEACHE
SCHEMBL1835802 0.86 OPRM1 (0.47) CYP3A4OPRM1OPRK1OPRL1BCHE

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