SCHEMBL4681962

SCHEMBL4681962

CC(C[C@H]1CC(n2c(=O)n(CC3CCCCC3)c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 16/20 0.46
▸ OPRM1 P35372 11/20 0.46
▸ OPRK1 P41145 5/20 0.46
▸ ENPP2 Q13822 1/20 0.39
▸ C5AR1 P21730 1/20 0.38
▸ OPRD1 P41143 3/20 0.38
▸ CACNA1G O43497 2/20 0.37
▸ CACNA1H O95180 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL4681961 1.00 OPRL1 (0.46) OPRL1OPRM1OPRK1ENPP2C5AR1
SCHEMBL4675602 0.85 CYP3A4 (0.41) OPRL1OPRM1C5AR1CACNA1GCACNA1H
SCHEMBL4681956 0.84 OPRL1 (0.48) OPRL1OPRM1OPRK1ENPP2C5AR1
SCHEMBL4681959 0.83 OPRL1 (0.44) OPRL1OPRM1OPRK1ENPP2C5AR1
SCHEMBL4674540 0.82 HTR4 (0.36) OPRL1OPRM1OPRK1C5AR1OPRD1
SCHEMBL4674544 0.82 HTR4 (0.36) OPRL1OPRM1OPRK1C5AR1OPRD1
SCHEMBL4804471 0.81 CACNA1G (0.43) OPRL1OPRM1OPRK1C5AR1OPRD1
SCHEMBL4804476 0.81 CACNA1G (0.43) OPRL1OPRM1OPRK1C5AR1OPRD1
SCHEMBL3799851 0.81 OPRL1 (0.42) OPRL1OPRM1OPRK1ENPP2C5AR1
SCHEMBL3748474 0.80 OPRL1 (0.48) OPRL1OPRM1OPRK1ENPP2C5AR1

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-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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