SCHEMBL19416971

SCHEMBL19416971

Bc1cnc(C2(F)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL4294944 0.89 TRPV1 (0.42) TRPV1POLBCYP3A4CYP3A5
SCHEMBL13977863 0.88 POLB (0.41) POLBCYP3A4CYP3A5NAMPT
SCHEMBL13977509 0.87 TRPV1 (0.42) TRPV1POLBNAMPT
SCHEMBL13977891 0.87 TRPV1 (0.41) TRPV1POLB
SCHEMBL13977336 0.86 NAMPT (0.42) TRPV1POLBNAMPT
SCHEMBL13977512 0.84 GPR119 (0.43) TRPV1
SCHEMBL3804357 0.84 TRPV1 (0.43) TRPV1
SCHEMBL9999453 0.82 TRPV1 (0.42) TRPV1
SCHEMBL12073206 0.82 TRPV1 (0.42) TRPV1
SCHEMBL4553744 0.81 TRPV1 (0.62) TRPV1

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-2709609-B1 HETEROCYCLIC COMPOUNDS SHIONOGI & CO (JP) 2017-10-04 EP disclosed