SCHEMBL6465644

SCHEMBL6465644

COc1nc(Nc2ccc(C(F)(F)F)nc2)c2nc(S(C)(=O)=O)c(-c3ncccc3C(F)(F)F)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.50
PTK2 Q05397 1/20 0.39
CYP2C9 P11712 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL27600421 0.82 TRPV1 (0.61) TRPV1
SCHEMBL27600446 0.79 TRPV1 (0.77) TRPV1
SCHEMBL27618912 0.74 TRPV1 (0.58) TRPV1EPHX2
SCHEMBL6449846 0.72 TRPV1 (0.69) TRPV1
SCHEMBL6465638 0.72 TRPV1 (0.59) TRPV1
SCHEMBL27600438 0.70 TRPV1 (0.60) TRPV1
SCHEMBL27600558 0.70 TRPV1 (0.62) TRPV1
SCHEMBL4972789 0.70 TRPV1 (0.81) TRPV1
SCHEMBL27618875 0.69 TRPV1 (0.42) TRPV1
SCHEMBL27600463 0.69 TRPV1 (0.55) 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