SCHEMBL4777964

SCHEMBL4777964

O=C(Nc1cccc2cnccc12)NC1C2CN(c3ncccc3NC(=O)C(F)(F)F)CC21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL4776171 0.88 TRPV1 (0.47) TRPV1CYP3A4CCNE1CDK2CDK5
SCHEMBL4778071 0.85 CCNE1 (0.46) TRPV1CYP3A4CCNE1CDK2CDK5
SCHEMBL4773992 0.84 TRPV1 (0.45) TRPV1CYP3A4CCNE1CDK2CDK5
SCHEMBL4776314 0.79 TRPV1 (0.56) TRPV1
SCHEMBL4773951 0.78 TRPV1 (0.56) TRPV1CYP3A4
SCHEMBL4780302 0.78 TRPV1 (0.52) TRPV1CYP3A4
Trifluoroacetic Acid SCHEMBL4777995 0.77 TRPV1 (0.52) TRPV1CYP3A4CYP2D6
SCHEMBL4773955 0.76 TRPV1 (0.59) TRPV1
SCHEMBL4777923 0.76 TRPV1 (0.64) TRPV1
Hydrochloric Acid SCHEMBL4780345 0.75 TRPV1 (0.56) TRPV1CYP3A4CYP2D6

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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed