SCHEMBL846423

SCHEMBL846423

CN(CC1CCCCC1)c1ccc(C(=O)Nc2cnc3ccccc3c2)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.75
KDR P35968 6/20 0.53
TMPRSS4 Q9NRS4 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL845817 0.86 TRPV1 (0.74) TRPV1KDRTMPRSS4KDM4E
SCHEMBL846116 0.86 TRPV1 (1.00) TRPV1KDRKDM4E
SCHEMBL846740 0.83 TRPV1 (0.72) TRPV1KDRTMPRSS4KDM4E
SCHEMBL845816 0.82 KDR (0.56) TRPV1KDRTMPRSS4KDM4E
SCHEMBL846237 0.80 TRPV1 (0.74) TRPV1KDRTMPRSS4
SCHEMBL845644 0.79 TRPV1 (0.72) TRPV1KDRTMPRSS4KDM4E
SCHEMBL845885 0.79 TRPV1 (0.73) TRPV1KDM4E
SCHEMBL845924 0.79 TRPV1 (0.79) TRPV1KDRKDM4E
SCHEMBL846826 0.79 KDR (0.58) TRPV1KDRTMPRSS4KDM4E
SCHEMBL6384026 0.76 TRPV1 (0.54) TRPV1KDR

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
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed