SCHEMBL862019

SCHEMBL862019

CCCCC(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.CCCCC(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.65
KDR P35968 2/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 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
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL845860 0.96 TRPV1 (0.70) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846540 0.86 NPC1 (0.70) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL1576851 0.86 TRPV1 (0.56) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846167 0.80 TRPV1 (0.59) TRPV1RAB9A
SCHEMBL845888 0.79 TRPV1 (0.76) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846651 0.79 TRPV1 (1.00) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846121 0.78 TRPV1 (0.98) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846630 0.77 TRPV1 (1.00) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846096 0.77 TRPV1 (1.00) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846451 0.77 TRPV1 (0.73) 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