SCHEMBL17994153

SCHEMBL17994153

CC1CCCN1c1nc2c(c(Nc3ccc(C(F)(F)F)c(N)n3)n1)CCN(c1ncccc1C(F)(F)F)CC2

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.75

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
SCHEMBL4184368 0.91 TRPV1 (0.77) TRPV1
SCHEMBL4344253 0.91 TRPV1 (0.74) TRPV1
SCHEMBL4192780 0.90 TRPV1 (0.72) TRPV1
SCHEMBL5633821 0.90 TRPV1 (0.72) TRPV1
SCHEMBL5632806 0.87 TRPV1 (0.82) TRPV1
SCHEMBL5633139 0.87 TRPV1 (0.77) TRPV1
SCHEMBL5632546 0.85 TRPV1 (1.00) TRPV1
SCHEMBL4196015 0.85 TRPV1 (0.81) TRPV1
SCHEMBL4184985 0.85 TRPV1 (0.86) TRPV1
SCHEMBL5634137 0.84 TRPV1 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422293-B2 Tetrahydro-pyrimidoazepines as modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed