SCHEMBL1833753

SCHEMBL1833753

CC(CC1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.43
▸ OPRL1 P41146 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ PLD1 Q13393 4/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ PLD2 O14939 2/20 0.39

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
SCHEMBL4677810 0.92 OPRM1 (0.50) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL4677814 0.92 OPRM1 (0.50) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1833748 0.85 OPRM1 (0.42) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1841565 0.85 OPRM1 (0.48) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1840397 0.84 OPRM1 (0.56) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1832648 0.83 OPRK1 (0.43) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL1832267 0.83 OPRK1 (0.43) OPRM1OPRL1OPRK1BCHEACHE
SCHEMBL4682974 0.83 CHRM1 (0.52) OPRM1OPRK1PMP22PLD1CYP3A4
SCHEMBL4682975 0.83 CHRM1 (0.52) OPRM1OPRK1PMP22PLD1CYP3A4
SCHEMBL1833805 0.82 BCHE (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 1 patent. 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
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