SCHEMBL17591111

SCHEMBL17591111

COB(OC(C)(C)C)c1cnc2c(c1)nc(Cn1c(=O)n(C3CC3)c3ccncc31)n2CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
OPRM1 P35372 7/20 0.34
OPRL1 P41146 7/20 0.34
TNKS O95271 1/20 0.32

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
SCHEMBL9977921 0.86 CYP3A4 (0.51) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9977944 0.82 CYP3A4 (0.51) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9977924 0.81 CYP3A4 (0.49) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9978021 0.81 CYP3A4 (0.50) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9977920 0.81 CYP3A4 (0.51) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9978047 0.81 CYP3A4 (0.49) CYP3A4OPRM1OPRL1TNKS
SCHEMBL15293737 0.80 CYP3A4 (0.54) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9977943 0.80 CYP3A4 (0.58) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9977960 0.78 CYP3A4 (0.66) CYP3A4OPRM1OPRL1TNKS
SCHEMBL9978113 0.78 CYP3A4 (0.64) CYP3A4OPRM1OPRL1TNKS

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-2651933-B1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed