SCHEMBL1836434

SCHEMBL1836434

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.49
▸ HSD11B1 P28845 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ OPRL1 P41146 3/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ PLD1 Q13393 2/20 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
SCHEMBL1835708 0.95 OPRM1 (0.57) OPRM1HSD11B1BCHEACHEOPRL1
SCHEMBL3397204 0.93 OPRM1 (0.47) OPRM1HSD11B1BCHEACHEOPRL1
SCHEMBL1833680 0.92 OPRM1 (0.51) OPRM1BCHEACHEOPRL1OPRK1
SCHEMBL1835996 0.90 OPRM1 (0.54) OPRM1BCHEACHEOPRL1OPRK1
SCHEMBL1836056 0.89 OPRM1 (0.55) OPRM1HSD11B1BCHEACHEOPRL1
SCHEMBL1834830 0.88 BCHE (0.52) OPRM1BCHEACHEOPRL1OPRK1
SCHEMBL1836588 0.87 OPRM1 (0.51) OPRM1HSD11B1BCHEACHEOPRL1
SCHEMBL1839281 0.87 CYP3A4 (0.49) OPRM1BCHEACHEOPRL1OPRK1
SCHEMBL1839221 0.87 OPRM1 (0.53) OPRM1BCHEACHEOPRL1OPRK1
SCHEMBL1831375 0.87 OPRM1 (0.52) OPRM1BCHEACHEOPRL1OPRK1

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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