SCHEMBL4776335

SCHEMBL4776335

O=C(Nc1cccc2cnccc12)NC1C2CN(S(=O)(=O)c3ccc(Cl)cc3)CC21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.53
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
EPHX2 P34913 1/20 0.43
ROCK1 Q13464 2/20 0.43
ROCK2 O75116 2/20 0.43
CCR2 P41597 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
SCHEMBL4779491 0.91 TRPV1 (0.51) TRPV1HTTEPHX2
SCHEMBL4779427 0.91 EPHX2 (0.51) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4774265 0.91 TRPV1 (0.52) TRPV1EPHX2ROCK1
SCHEMBL4779566 0.88 TRPV1 (0.50) TRPV1EPHX2
SCHEMBL4779435 0.87 EPHX2 (0.51) TRPV1ALDH1A1LMNAHPGDHTT
SCHEMBL4781101 0.86 EPHX2 (0.51) TRPV1KDM4EEPHX2
SCHEMBL4780970 0.83 TRPV1 (0.63) TRPV1KDM4EALDH1A1LMNAMAPT
SCHEMBL4778931 0.83 TRPV1 (0.55) TRPV1KDM4EALDH1A1LMNAMAPT
SCHEMBL4778063 0.82 CHRM1 (0.48) TRPV1EPHX2
SCHEMBL4780962 0.82 KDM4E (0.47) TRPV1KDM4EALDH1A1MAPTEPHX2

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
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