SCHEMBL1832067

SCHEMBL1832067

CC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.45
▸ OPRL1 P41146 4/20 0.45
▸ OPRK1 P41145 2/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 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
▸ CHRM1 P11229 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ PLD1 Q13393 5/20 0.41
▸ PLD2 O14939 2/20 0.40

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 0.92 OPRM1 (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1836588 0.89 OPRM1 (0.51) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1839221 0.89 OPRM1 (0.53) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1831375 0.89 OPRM1 (0.52) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1836056 0.87 OPRM1 (0.55) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1839281 0.87 CYP3A4 (0.49) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1834830 0.86 BCHE (0.52) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1832410 0.85 HSD11B1 (0.45) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1835996 0.85 OPRM1 (0.54) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1833973 0.85 OPRM1 (0.46) OPRM1OPRL1OPRK1BCHEACHE

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 3 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
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP disclosed
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