SCHEMBL6447355

SCHEMBL6447355

CC(=O)C(C)(C)c1ccc(Nc2nc(S(C)(=O)=O)nc3nc(-c4ncccc4C(F)(F)F)ccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.56
MAPK3 P27361 1/20 0.42

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
SCHEMBL4973145 0.88 TRPV1 (0.59) TRPV1MAPK3
SCHEMBL4917766 0.84 TRPV1 (0.59) TRPV1
SCHEMBL4919625 0.81 TRPV1 (0.51) TRPV1
SCHEMBL6447318 0.79 TRPV1 (0.47) TRPV1MAPK3
SCHEMBL5108400 0.78 TRPV1 (0.60) TRPV1MAPK3
SCHEMBL27600557 0.78 TRPV1 (0.56) TRPV1
SCHEMBL4977671 0.78 TRPV1 (0.57) TRPV1MAPK3
SCHEMBL4976316 0.77 TRPV1 (0.44) TRPV1
SCHEMBL5115543 0.77 TRPV1 (0.69) TRPV1MAPK3
SCHEMBL4911237 0.76 TRPV1 (0.73) 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