SCHEMBL860876

SCHEMBL860876

O=C(Nc1cnc2ccccc2c1)c1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.74
KDR P35968 1/20 0.60
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MITF O75030 1/20 0.58
XBP1 P17861 1/20 0.58
PAX8 Q06710 1/20 0.58
KLF5 Q13887 1/20 0.58
HDAC6 Q9UBN7 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HDAC1 Q13547 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL846491 0.85 TRPV1 (0.71) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846014 0.85 TRPV1 (1.00) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846509 0.85 TRPV1 (1.00) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL845960 0.84 TRPV1 (0.98) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL845842 0.81 TRPV1 (0.80) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL8809936 0.81 HDAC1 (0.68) TRPV1NPC1RAB9AHDAC6HDAC1
SCHEMBL847005 0.80 TRPV1 (0.72) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846060 0.80 TRPV1 (0.72) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846053 0.79 TRPV1 (0.70) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846099 0.79 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 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