SCHEMBL6470786

SCHEMBL6470786

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1S(=O)(=O)CF

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.71
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL4267243 0.85 TRPV1 (0.76) TRPV1CA12CA1CA2CA9
SCHEMBL6468923 0.84 TRPV1 (0.69) TRPV1CA12CA1CA2CA9
SCHEMBL4273840 0.83 TRPV1 (1.00) TRPV1
SCHEMBL4273828 0.83 TRPV1 (0.78) TRPV1
SCHEMBL4260347 0.82 TRPV1 (0.79) TRPV1
SCHEMBL4268876 0.81 TRPV1 (0.78) TRPV1
SCHEMBL4274918 0.78 TRPV1 (0.89) TRPV1
SCHEMBL4274898 0.78 TRPV1 (0.70) TRPV1
SCHEMBL4272762 0.78 TRPV1 (0.72) TRPV1
SCHEMBL4273890 0.78 TRPV1 (0.88) TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed