SCHEMBL1839281

SCHEMBL1839281

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.49
▸ OPRM1 P35372 4/20 0.46
▸ OPRL1 P41146 2/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ PLD1 Q13393 4/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ PLD2 O14939 1/20 0.42

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
SCHEMBL1833680 0.95 OPRM1 (0.51) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1831375 0.90 OPRM1 (0.52) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1839221 0.90 OPRM1 (0.53) CYP3A4OPRM1OPRL1OPRK1KDM4E
SCHEMBL1836588 0.90 OPRM1 (0.51) CYP3A4OPRM1OPRL1OPRK1KDM4E
SCHEMBL1836056 0.89 OPRM1 (0.55) OPRM1OPRL1OPRK1ALDH1A1BCHE
SCHEMBL1835996 0.88 OPRM1 (0.54) CYP3A4OPRM1OPRL1OPRK1KDM4E
SCHEMBL1832410 0.88 HSD11B1 (0.45) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1835696 0.88 OPRM1 (0.41) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1833973 0.88 OPRM1 (0.46) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL1832067 0.87 OPRM1 (0.45) OPRM1OPRL1OPRK1KDM4EALDH1A1

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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