SCHEMBL16696159

SCHEMBL16696159

CNC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.49
OPRM1 P35372 10/20 0.49
CYP3A4 P08684 1/20 0.49
OPRD1 P41143 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL16696093 0.89 CYP3A4 (0.49) OPRL1OPRM1CYP3A4OPRD1
SCHEMBL16696051 0.89 CYP3A4 (0.52) OPRL1OPRM1CYP3A4
SCHEMBL16696065 0.89 CYP3A4 (0.52) OPRL1OPRM1CYP3A4
SCHEMBL16696123 0.85 CACNA1G (0.51) OPRL1OPRM1CYP3A4
SCHEMBL16696112 0.84 CYP3A4 (0.66) OPRL1OPRM1CYP3A4
SCHEMBL16696005 0.83 CYP3A4 (0.50) OPRL1OPRM1CYP3A4
SCHEMBL16696138 0.82 CYP3A4 (0.49) OPRL1OPRM1CYP3A4
SCHEMBL16696119 0.81 CYP3A4 (0.49) CYP3A4
SCHEMBL16696092 0.81 OPRL1 (0.48) OPRL1OPRM1CYP3A4OPRD1KCNH2
SCHEMBL16696169 0.80 CACNA1G (0.50) CYP3A4

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
WO-2015065336-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed