SCHEMBL4722896

SCHEMBL4722896

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCCC4=O)ccc3C(F)(F)F)c(=O)c3ncccc23)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.32
BRD4 O60885 1/20 0.31
BRDT Q58F21 1/20 0.31
FFAR1 O14842 2/20 0.30
FFAR4 Q5NUL3 2/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
PDE10A Q9Y233 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL4724241 0.88 F10 (0.35)
SCHEMBL4719110 0.88 TRPV1 (0.34) TRPV1
SCHEMBL4722197 0.85 MEN1 (0.32) TRPV1
SCHEMBL4719909 0.84 TRPV1 (0.35) TRPV1
SCHEMBL4720512 0.84 SLC40A1 (0.35) TRPV1RORC
SCHEMBL4720511 0.84 SLC40A1 (0.35) TRPV1RORC
SCHEMBL4724242 0.84 SLC40A1 (0.35) TRPV1RORC
SCHEMBL4719078 0.83 PARP1 (0.30) FFAR1FFAR4GPBAR1
SCHEMBL4723705 0.81 TRPV1 (0.30) TRPV1
SCHEMBL4721659 0.80 RIOK2 (0.35)

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed