SCHEMBL16696121

SCHEMBL16696121

Cc1cccc2c1c(=O)nc(Cn1c(=O)n(C3CC3)c3ccccc31)n2CCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 12/20 0.49
OPRL1 P41146 7/20 0.45
CYP3A4 P08684 1/20 0.44
OPRM1 P35372 5/20 0.41

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
SCHEMBL16696172 0.91 CYP3A4 (0.54) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696082 0.90 OPRL1 (0.44) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696120 0.88 C5AR1 (0.38) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696092 0.86 OPRL1 (0.48) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696064 0.86 CYP3A4 (0.49) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696115 0.83 CYP3A4 (0.46) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696053 0.81 CYP3A4 (0.53) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL9977952 0.81 CYP3A4 (0.48) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696110 0.81 OPRL1 (0.44) C5AR1OPRL1CYP3A4OPRM1
SCHEMBL16696109 0.81 OPRL1 (0.44) C5AR1OPRL1CYP3A4OPRM1

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