SCHEMBL845817

SCHEMBL845817

CN(c1ccc(C(=O)Nc2cnc3ccccc3c2)c(Cl)c1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.74
KDR P35968 9/20 0.53
TMPRSS4 Q9NRS4 1/20 0.51
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL846423 0.86 TRPV1 (0.75) TRPV1KDRTMPRSS4KDM4E
SCHEMBL846061 0.85 TRPV1 (1.00) TRPV1KDRKDM4ENPC1RAB9A
SCHEMBL847137 0.85 TRPV1 (1.00) TRPV1KDRKDM4ENPC1RAB9A
SCHEMBL847641 0.84 TRPV1 (0.98) TRPV1KDRKDM4ENPC1RAB9A
SCHEMBL847628 0.83 TRPV1 (0.81) TRPV1KDRKDM4ENPC1RAB9A
SCHEMBL845644 0.81 TRPV1 (0.72) TRPV1KDRTMPRSS4KDM4ENPC1
SCHEMBL846826 0.81 KDR (0.58) TRPV1KDRTMPRSS4KDM4ENPC1
SCHEMBL846740 0.79 TRPV1 (0.72) TRPV1KDRTMPRSS4KDM4ERAB9A
SCHEMBL845816 0.79 KDR (0.56) TRPV1KDRTMPRSS4KDM4ENPC1
SCHEMBL847391 0.78 TRPV1 (0.73) TRPV1KDM4ENPC1RAB9ASMN1; SMN2

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