SCHEMBL860203

SCHEMBL860203

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.71
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MITF O75030 1/20 0.64
XBP1 P17861 1/20 0.64
PAX8 Q06710 1/20 0.64
KLF5 Q13887 1/20 0.64
KDR P35968 2/20 0.62
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL846551 0.89 TRPV1 (0.78) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846613 0.85 TRPV1 (0.62) TRPV1
SCHEMBL846129 0.84 TRPV1 (0.64) TRPV1RAB9A
SCHEMBL6383860 0.84 ADCY6 (0.53) TRPV1RAB9A
SCHEMBL846396 0.84 TRPV1 (1.00) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL845888 0.83 TRPV1 (0.76) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846651 0.83 TRPV1 (1.00) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846266 0.83 TRPV1 (0.50) TRPV1RAB9A
SCHEMBL846267 0.83 TRPV1 (0.50) TRPV1RAB9A
SCHEMBL846121 0.82 TRPV1 (0.98) TRPV1NPC1RAB9AKDM4EMITF

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