SCHEMBL13174923

SCHEMBL13174923

Cc1sc2[nH]c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.67
▸ TRPV4 Q9HBA0 9/20 0.63

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
SCHEMBL16366780 0.90 TRPA1 (0.65) TRPA1TRPV4
SCHEMBL13834769 0.87 TRPA1 (0.74) TRPA1TRPV4
SCHEMBL13175032 0.85 TRPA1 (0.61) TRPA1TRPV4
SCHEMBL13175038 0.85 TRPA1 (0.77) TRPA1TRPV4
SCHEMBL13075868 0.83 TRPA1 (0.63) TRPA1TRPV4
SCHEMBL13075960 0.83 TRPA1 (0.69) TRPA1TRPV4
SCHEMBL13076890 0.82 TRPA1 (0.62) TRPA1TRPV4
SCHEMBL474685 0.81 TRPA1 (0.83) TRPA1TRPV4
SCHEMBL10275196 0.80 TRPA1 (1.00) TRPA1TRPV4
SCHEMBL15241202 0.79 TRPA1 (0.68) TRPA1TRPV4

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-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
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