SCHEMBL4780970

SCHEMBL4780970

O=C(Nc1cccc2cnccc12)NC1C2CN(Cc3ccc(Cl)cc3)CC21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.63
ROCK2 O75116 6/20 0.58
ROCK1 Q13464 3/20 0.58
CCR2 P41597 2/20 0.58
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
CASP3 P42574 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL4777923 0.89 TRPV1 (0.64) TRPV1
SCHEMBL4778931 0.84 TRPV1 (0.55) TRPV1ROCK2ROCK1CCR2KDM4E
SCHEMBL4776335 0.83 TRPV1 (0.53) TRPV1ROCK2ROCK1CCR2KDM4E
SCHEMBL4776314 0.81 TRPV1 (0.56) TRPV1HTT
SCHEMBL4773951 0.78 TRPV1 (0.56) TRPV1ALDH1A1MAPTHTT
SCHEMBL4779435 0.78 EPHX2 (0.51) TRPV1ALDH1A1LMNAHPGDHTT
SCHEMBL4019935 0.78 TRPV1 (1.00) TRPV1
SCHEMBL13841567 0.78 ROCK2 (0.73) ROCK2ROCK1CCR2
SCHEMBL4779566 0.78 TRPV1 (0.50) TRPV1
SCHEMBL4780244 0.78 TRPV1 (0.50) 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