SCHEMBL13256012

SCHEMBL13256012

O=C(c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl)N1CCC(N2CCOC2=O)[C@@H](O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
RBP4 P02753 4/20 0.31
VNN1 O95497 1/20 0.31

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
SCHEMBL3074112 1.00 SCD5 (0.32) SCD5TRPV1RBP4VNN1
SCHEMBL3066672 1.00 SCD5 (0.32) SCD5TRPV1RBP4VNN1
SCHEMBL3066679 1.00 SCD5 (0.32) SCD5TRPV1RBP4VNN1
SCHEMBL13256742 1.00 SCD5 (0.32) SCD5TRPV1RBP4VNN1
SCHEMBL3074117 1.00 SCD5 (0.32) SCD5TRPV1RBP4VNN1
SCHEMBL3066674 1.00 SCD5 (0.32) SCD5TRPV1RBP4VNN1
SCHEMBL3068886 0.90 TRPV1 (0.32) TRPV1RBP4VNN1
SCHEMBL3068883 0.90 TRPV1 (0.32) TRPV1RBP4VNN1
SCHEMBL3068374 0.90 TRPV1 (0.32) TRPV1RBP4VNN1
SCHEMBL3068379 0.90 TRPV1 (0.32) TRPV1RBP4VNN1

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-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed