SCHEMBL846029

SCHEMBL846029

CCCNc1ccc(C(=O)Nc2cnc3ccccc3c2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.61
TMPRSS4 Q9NRS4 1/20 0.55
TRPV1 Q8NER1 8/20 0.54
POLB P06746 2/20 0.52
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 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

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
SCHEMBL846437 0.93 KDR (0.58) KDRTMPRSS4TRPV1POLB
SCHEMBL846825 0.86 KDR (0.60) KDRTMPRSS4TRPV1POLBRAB9A
SCHEMBL847105 0.83 TRPV1 (0.73) KDRTRPV1RAB9AKDM4ENPC1
SCHEMBL846865 0.83 KDR (0.62) KDRTMPRSS4TRPV1POLBRAB9A
SCHEMBL847429 0.81 KDR (0.65) KDRTRPV1RAB9AKDM4ENPC1
SCHEMBL846740 0.81 TRPV1 (0.72) KDRTMPRSS4TRPV1POLBRAB9A
SCHEMBL845816 0.81 KDR (0.56) KDRTMPRSS4TRPV1POLBRAB9A
SCHEMBL846608 0.80 KDR (0.65) KDRTMPRSS4TRPV1RAB9ATSHR
SCHEMBL13544521 0.79 TRPV1 (0.71) KDRTMPRSS4TRPV1RAB9ATSHR
SCHEMBL846237 0.79 TRPV1 (0.74) KDRTMPRSS4TRPV1

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