SCHEMBL12653025

SCHEMBL12653025

CCC(c1ccc(C(F)(F)F)cc1)c1nc2cc(-c3ccccc3C(C)(C)O)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 13/20 0.54
▸ F9 P00740 1/20 0.38
▸ TRPA1 O75762 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL12363946 1.00 TRPV1 (0.54) TRPV1F9TRPA1TRPM8AKR1C3
SCHEMBL12653026 0.83 TRPV1 (0.54) TRPV1
SCHEMBL12653116 0.83 TRPV1 (0.54) TRPV1
SCHEMBL12652905 0.81 TRPV1 (0.59) TRPV1DGAT1KCNH2
SCHEMBL2241285 0.78 TRPV1 (0.85) TRPV1TRPA1TRPM8
SCHEMBL4514053 0.76 TRPV1 (0.62) TRPV1
Mavatrep SCHEMBL1797450 0.76 TRPV1 (0.85) TRPV1
Mavatrep SCHEMBL1796599 0.76 TRPV1 (0.85) TRPV1
Mavatrep SCHEMBL29636978 0.76 TRPV1 (0.85) TRPV1
SCHEMBL1798882 0.76 TRPV1 (0.85) TRPV1TRPA1TRPM8

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
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
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