SCHEMBL4719110

SCHEMBL4719110

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCC(=O)C4)ccc3C(F)(F)F)c(=O)c3ncccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
HTR6 P50406 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4722896 0.88 TRPV1 (0.32) TRPV1
SCHEMBL4722942 0.88 MEN1 (0.31) MAPTMEN1LMNAKMT2AGAA
SCHEMBL4724242 0.87 SLC40A1 (0.35) TRPV1
SCHEMBL4720511 0.87 SLC40A1 (0.35) TRPV1
SCHEMBL4720512 0.87 SLC40A1 (0.35) TRPV1
SCHEMBL4722197 0.85 MEN1 (0.32) TRPV1MEN1KMT2AGAA
SCHEMBL4719909 0.84 TRPV1 (0.35) TRPV1MEN1LMNAKMT2A
SCHEMBL4723705 0.81 TRPV1 (0.30) TRPV1
SCHEMBL4721659 0.80 RIOK2 (0.35)
SCHEMBL4720084 0.80 NAMPT (0.33) TRPV1MAPTLMNA

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