SCHEMBL1838770

SCHEMBL1838770

O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)C(CCCc2ccccc2)[C@@H]1N(Cc1ccccc1)Cc1ccccc1.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ HSD11B1 P28845 6/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ CALCRL Q16602 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL1841721 1.00 OPRM1 (0.46) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3398324 0.93 OPRK1 (0.43) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3398294 0.93 OPRK1 (0.43) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1838526 0.93 KDM4E (0.43) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1838951 0.89 BCHE (0.41) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1842600 0.87 CCR5 (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1837775 0.85 TNKS (0.44) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL3795239 0.81 BCHE (0.34) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL1844470 0.81 OPRM1 (0.48) OPRM1OPRK1OPRL1ALDH1A1KDM4E
SCHEMBL4896395 0.81 OPRK1 (0.33) OPRM1OPRK1OPRL1ALDH1A1KDM4E

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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