SCHEMBL846826

SCHEMBL846826

CC(C)N(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.58
TMPRSS4 Q9NRS4 1/20 0.55
TRPV1 Q8NER1 8/20 0.54
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MITF O75030 1/20 0.51
XBP1 P17861 1/20 0.51
PAX8 Q06710 1/20 0.51
KLF5 Q13887 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL846740 0.85 TRPV1 (0.72) KDRTMPRSS4TRPV1KDM4ERAB9A
SCHEMBL846237 0.83 TRPV1 (0.74) KDRTMPRSS4TRPV1
SCHEMBL846865 0.83 KDR (0.62) KDRTMPRSS4TRPV1KDM4ENPC1
SCHEMBL845817 0.81 TRPV1 (0.74) KDRTMPRSS4TRPV1KDM4ENPC1
SCHEMBL846825 0.80 KDR (0.60) KDRTMPRSS4TRPV1KDM4ENPC1
SCHEMBL846608 0.80 KDR (0.65) KDRTMPRSS4TRPV1KDM4ENPC1
SCHEMBL13544521 0.79 TRPV1 (0.71) KDRTMPRSS4TRPV1KDM4ENPC1
SCHEMBL846423 0.79 TRPV1 (0.75) KDRTMPRSS4TRPV1KDM4E
SCHEMBL846029 0.77 KDR (0.61) KDRTMPRSS4TRPV1KDM4ENPC1
SCHEMBL3581729 0.75 KDR (0.56) KDRTMPRSS4TRPV1KDM4ENPC1

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
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed