SCHEMBL5793010

SCHEMBL5793010

CC(C)c1ccc(-c2nc(Nc3ccc(C(F)(F)F)cc3)nc(N3CCN(c4ncccc4Cl)CC3C)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.44

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
SCHEMBL14581615 1.00 TRPV1 (0.44) TRPV1
SCHEMBL14581619 0.88 TRPV1 (0.41) TRPV1
SCHEMBL5446553 0.88 TRPV1 (0.41) TRPV1
SCHEMBL5794283 0.86 TRPV1 (0.56) TRPV1
SCHEMBL5446901 0.86 TRPV1 (0.56) TRPV1
SCHEMBL14581578 0.84 TRPV1 (0.49) TRPV1
SCHEMBL5443254 0.84 TRPV1 (0.46) TRPV1
SCHEMBL5444489 0.84 TRPV1 (0.49) TRPV1
SCHEMBL5794013 0.84 TRPV1 (0.46) TRPV1
SCHEMBL14581564 0.84 TRPV1 (0.47) 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-1651636-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-05-03 EP claimed
WO-2005007646-A1 SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO claimed