SCHEMBL845644

SCHEMBL845644

O=C(Nc1cnc2ccccc2c1)c1ccc(NC2CCCCC2)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.72
KDR P35968 10/20 0.56
TMPRSS4 Q9NRS4 1/20 0.53
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 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
ACKR3 P25106 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
SCHEMBL845816 0.85 KDR (0.56) TRPV1KDRTMPRSS4NPC1RAB9A
SCHEMBL846014 0.84 TRPV1 (1.00) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846509 0.84 TRPV1 (1.00) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL845960 0.83 TRPV1 (0.98) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846099 0.82 TRPV1 (0.80) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL845817 0.81 TRPV1 (0.74) TRPV1KDRTMPRSS4NPC1RAB9A
SCHEMBL846865 0.81 KDR (0.62) TRPV1KDRTMPRSS4NPC1RAB9A
SCHEMBL846423 0.79 TRPV1 (0.75) TRPV1KDRTMPRSS4KDM4E
SCHEMBL846608 0.78 KDR (0.65) TRPV1KDRTMPRSS4NPC1RAB9A
SCHEMBL845842 0.78 TRPV1 (0.80) TRPV1KDRNPC1RAB9AKDM4E

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