SCHEMBL1835996

SCHEMBL1835996

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.54
▸ CHRM1 P11229 2/20 0.47
▸ OPRK1 P41145 3/20 0.46
▸ OPRL1 P41146 2/20 0.46
▸ USP2 O75604 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PMP22 Q01453 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ GMNN O75496 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43

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
SCHEMBL1839221 0.93 OPRM1 (0.53) OPRM1OPRK1OPRL1USP2CYP1A2
SCHEMBL1833680 0.93 OPRM1 (0.51) OPRM1CHRM1OPRK1OPRL1CYP2D6
SCHEMBL1836434 0.90 OPRM1 (0.49) OPRM1CHRM1OPRK1OPRL1PMP22
SCHEMBL1835708 0.89 OPRM1 (0.57) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL1839281 0.88 CYP3A4 (0.49) OPRM1OPRK1OPRL1PMP22CYP3A4
SCHEMBL1831375 0.88 OPRM1 (0.52) OPRM1OPRK1OPRL1PMP22KDM4E
SCHEMBL1836588 0.88 OPRM1 (0.51) OPRM1CHRM1OPRK1OPRL1USP2
SCHEMBL3397204 0.88 OPRM1 (0.47) OPRM1CHRM1OPRK1OPRL1PMP22
SCHEMBL1832410 0.87 HSD11B1 (0.45) OPRM1CHRM1OPRK1OPRL1CYP2D6
SCHEMBL1836056 0.86 OPRM1 (0.55) OPRM1OPRK1OPRL1DRD2DRD3

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
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