SCHEMBL4681956

SCHEMBL4681956

CCC(C1CC(n2c(=O)n(CC3CCCCC3)c3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 15/20 0.48
▸ OPRM1 P35372 11/20 0.48
▸ OPRK1 P41145 5/20 0.48
▸ OPRD1 P41143 2/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ C5AR1 P21730 1/20 0.37
▸ CACNA1G O43497 2/20 0.37
▸ CACNA1H O95180 2/20 0.37
▸ ATM Q13315 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
SCHEMBL4675596 0.85 CYP3A4 (0.40) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL4681961 0.84 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1ENPP2
SCHEMBL4681962 0.84 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1ENPP2
SCHEMBL4674536 0.82 PTGDR2 (0.35) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL4804451 0.82 CACNA1G (0.43) OPRL1OPRM1OPRK1OPRD1C5AR1
SCHEMBL3803735 0.79 OPRM1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL4676160 0.79 HSD11B1 (0.45) —
SCHEMBL4681959 0.78 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1ENPP2
SCHEMBL4796827 0.77 POLB (0.40) —
SCHEMBL4682261 0.76 DRD2 (0.44) OPRL1OPRM1

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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