SCHEMBL4776314

SCHEMBL4776314

O=C(Nc1cccc2cnccc12)NC1C2CN(c3ccccc3)CC21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.56
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4773951 0.91 TRPV1 (0.56) TRPV1MEN1HTTBLMKMT2A
SCHEMBL4773955 0.88 TRPV1 (0.59) TRPV1
SCHEMBL4780302 0.85 TRPV1 (0.52) TRPV1
SCHEMBL4779491 0.83 TRPV1 (0.51) TRPV1MEN1MAPK1HTTBLM
SCHEMBL4778197 0.83 KDM4E (0.53) TRPV1
SCHEMBL4778071 0.82 CCNE1 (0.46) TRPV1
SCHEMBL4776171 0.81 TRPV1 (0.47) TRPV1
SCHEMBL4779514 0.81 KDM4E (0.53) TRPV1MEN1KMT2A
SCHEMBL4777140 0.81 TRPV1 (0.55) TRPV1
SCHEMBL4780970 0.81 TRPV1 (0.63) TRPV1HTT

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