SCHEMBL4777153

SCHEMBL4777153

CC(C)c1ccc(NC(=O)Nc2cccc3cnccc23)c(C2C3CNCC32)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 20/20 0.51
CYP3A4 P08684 1/20 0.45

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
SCHEMBL4780959 0.80 KDM4E (0.44) TRPV1CYP3A4
SCHEMBL4780953 0.80 KDM4E (0.44) TRPV1CYP3A4
SCHEMBL4777937 0.79 TRPV1 (0.58) TRPV1CYP3A4
SCHEMBL4778200 0.79 TRPV1 (0.55) TRPV1
SCHEMBL4778198 0.79 TRPV1 (0.55) TRPV1
SCHEMBL4779521 0.78 TRPV1 (0.55) TRPV1
SCHEMBL4776317 0.77 TRPV1 (0.60) TRPV1
SCHEMBL4777140 0.77 TRPV1 (0.55) TRPV1CYP3A4
Hydrochloric Acid SCHEMBL4780347 0.76 TRPV1 (0.58) TRPV1CYP3A4
SCHEMBL4778939 0.74 TRPV1 (0.54) 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
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