SCHEMBL4722197

SCHEMBL4722197

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
GAA P10253 1/20 0.30
TACR1 P25103 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
SCHEMBL4719909 0.90 TRPV1 (0.35) MEN1KMT2ATRPV1TACR1
SCHEMBL4723705 0.86 TRPV1 (0.30) TRPV1
SCHEMBL4720084 0.86 NAMPT (0.33) TRPV1TACR1
SCHEMBL4721659 0.86 RIOK2 (0.35)
SCHEMBL4719110 0.85 TRPV1 (0.34) MEN1KMT2ATRPV1GAA
SCHEMBL4722896 0.85 TRPV1 (0.32) TRPV1
SCHEMBL4724242 0.83 SLC40A1 (0.35) TRPV1TACR1
SCHEMBL4720511 0.83 SLC40A1 (0.35) TRPV1TACR1
SCHEMBL4720512 0.83 SLC40A1 (0.35) TRPV1TACR1
SCHEMBL4722324 0.83 L3MBTL1 (0.32) TRPV1TACR1

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