SCHEMBL846878

SCHEMBL846878

CCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1C

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.77
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MITF O75030 1/20 0.61
XBP1 P17861 1/20 0.61
PAX8 Q06710 1/20 0.61
KLF5 Q13887 1/20 0.61
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDR P35968 2/20 0.57

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
SCHEMBL845881 0.93 TRPV1 (0.78) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846453 0.87 TRPV1 (1.00) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846181 0.85 TRPV1 (0.80) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL845924 0.82 TRPV1 (0.79) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846097 0.81 TRPV1 (0.81) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL845760 0.81 TRPV1 (1.00) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL844349 0.80 TRPV1 (0.77) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846823 0.80 TRPV1 (1.00) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846635 0.80 TRPV1 (0.63) TRPV1NPC1RAB9AKDM4EMITF
SCHEMBL846553 0.80 TRPV1 (0.68) 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