SCHEMBL13175033

SCHEMBL13175033

Cn1c(=O)[nH]c2scc(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)c2c1=O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 20/20 0.75
▸ TRPV4 Q9HBA0 11/20 0.75
▸ TRPV3 Q8NET8 4/20 0.75
▸ TRPV1 Q8NER1 2/20 0.51

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
SCHEMBL13174944 0.90 TRPA1 (0.69) TRPA1TRPV4TRPV3TRPV1
SCHEMBL14305979 0.88 TRPA1 (0.75) TRPA1TRPV4TRPV3TRPV1
SCHEMBL14479317 0.88 TRPA1 (0.76) TRPA1TRPV4TRPV3
SCHEMBL13175065 0.87 TRPA1 (0.67) TRPA1TRPV4TRPV3TRPV1
SCHEMBL13175064 0.87 TRPA1 (0.69) TRPA1TRPV4TRPV3
SCHEMBL13175063 0.86 TRPA1 (0.67) TRPA1TRPV4TRPV3
SCHEMBL30167897 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL474789 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL18828275 0.85 TRPA1 (0.64) TRPA1TRPV4TRPV3TRPV1
SCHEMBL18813640 0.85 TRPA1 (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012176143-A1 PHARMACEUTICAL COMPOSITION COMPRISING A TRPA1 ANTAGONIST AND A BETA-2 AGONIST GLENMARK PHARMACEUTICALS SA (CH) 2012-12-27 — — WO disclosed
WO-2012172475-A1 TREATMENT OF RESPIRATORY DISORDERS USING TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-12-20 — — WO disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 — — WO disclosed
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