SCHEMBL12653116

SCHEMBL12653116

CC[C@H](c1ccc(C(F)(F)F)cc1)c1nc2cc(-c3ccccc3S(N)(=O)=O)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 12/20 0.54
▸ POLB P06746 1/20 0.36
▸ ALOX5AP P20292 3/20 0.35
▸ FEN1 P39748 3/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL12653026 1.00 TRPV1 (0.54) TRPV1POLBALOX5APFEN1SCN9A
SCHEMBL4520138 0.85 TRPV1 (0.51) TRPV1
SCHEMBL12363946 0.83 TRPV1 (0.54) TRPV1
SCHEMBL12653025 0.83 TRPV1 (0.54) TRPV1
SCHEMBL4526680 0.82 TRPV1 (0.51) TRPV1POLB
SCHEMBL12359213 0.80 TRPV1 (0.60) TRPV1
SCHEMBL2239628 0.77 TRPV1 (0.85) TRPV1SCN9A
SCHEMBL4523218 0.77 TRPV1 (0.64) TRPV1POLBALOX5APFEN1
SCHEMBL4533243 0.77 TRPV1 (0.64) TRPV1POLBALOX5APFEN1
SCHEMBL4530055 0.76 TRPV1 (0.58) TRPV1SCN9A

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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