SCHEMBL5960372

SCHEMBL5960372

O=CCc1ccc(-c2ncccc2C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.53
METAP2 P50579 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL27600476 0.86 TRPV1 (0.55) TRPV1METAP2KIF11
SCHEMBL5960381 0.82 TRPV1 (0.51) TRPV1METAP2
SCHEMBL4974349 0.80 TRPV1 (0.58) TRPV1
SCHEMBL4357729 0.80 TRPV1 (0.58) TRPV1
SCHEMBL4973901 0.77 TRPV1 (0.55) TRPV1
SCHEMBL4360226 0.77 TRPV1 (0.69) TRPV1
SCHEMBL5479649 0.76 TRPV1 (0.71) TRPV1
SCHEMBL4908519 0.76 TRPV1 (0.68) TRPV1
SCHEMBL4357351 0.76 TRPV1 (0.67) TRPV1
Hydrochloric Acid SCHEMBL6364830 0.75 TRPV1 (0.67) 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-1732560-A1 SUBSTITUTED CINNOLIN-4-YLAMINES NEUROGEN CORPORATION (US) 2006-12-20 EP disclosed
WO-2005099710-A1 SUBSTITUTED CINNOLIN-4-YLAMINES NEUROGEN CORPORATION (US) 2005-10-27 WO disclosed