SCHEMBL13189598

SCHEMBL13189598

Cc1oc2[nH]c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(-c2c(F)cc(C(F)(F)F)cc2F)cs1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.61
▸ TRPV4 Q9HBA0 5/20 0.52
▸ TRPV3 Q8NET8 2/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL13189816 0.92 TRPA1 (0.63) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13189818 0.86 TRPA1 (0.60) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13189815 0.86 TRPA1 (0.60) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275750 0.86 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13189817 0.83 TRPA1 (0.76) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13189597 0.83 TRPA1 (0.61) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13190002 0.82 TRPA1 (0.61) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13189596 0.80 TRPA1 (0.52) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13190009 0.80 TRPA1 (0.60) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10275374 0.78 TRPA1 (0.83) TRPA1TRPV4TRPV3TRPV1

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-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
Send feedback