SCHEMBL1833748

SCHEMBL1833748

CCC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.42
▸ OPRL1 P41146 2/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CHRM1 P11229 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP3A4 P08684 1/20 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
SCHEMBL3803735 0.92 OPRM1 (0.49) OPRM1OPRL1OPRK1PAX8ALDH1A1
SCHEMBL1833753 0.85 OPRM1 (0.43) OPRM1OPRL1OPRK1PAX8ALDH1A1
SCHEMBL1840394 0.84 OPRM1 (0.55) OPRM1OPRL1OPRK1PAX8ALDH1A1
SCHEMBL4682963 0.83 CHRM1 (0.51) OPRM1OPRK1PMP22CHRM1CYP2D6
SCHEMBL1833800 0.83 BCHE (0.45) OPRM1OPRL1OPRK1PAX8ALDH1A1
SCHEMBL1833680 0.82 OPRM1 (0.51) OPRM1OPRL1OPRK1ALDH1A1KDM4E
SCHEMBL1839281 0.81 CYP3A4 (0.49) OPRM1OPRL1OPRK1PAX8ALDH1A1
SCHEMBL1832645 0.81 CHRM2 (0.39) OPRM1OPRL1OPRK1PAX8ALDH1A1
SCHEMBL1837643 0.78 OPRM1 (0.50) OPRM1OPRL1OPRK1ALDH1A1KDM4E
SCHEMBL1831375 0.78 OPRM1 (0.52) OPRM1OPRL1OPRK1ALDH1A1KDM4E

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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