SCHEMBL847747

SCHEMBL847747

O=C(Nc1cnc2cc(CF)ccc2c1)c1ccc(NCC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.52
HTR2C P28335 4/20 0.45
MCHR1 Q99705 4/20 0.45
KIT P10721 1/20 0.43
KDR P35968 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
XBP1 P17861 1/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
S1PR1 P21453 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL845830 0.86 TRPV1 (0.52) TRPV1HTR2CMCHR1KITKDR
SCHEMBL847005 0.85 TRPV1 (0.72) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846060 0.85 TRPV1 (0.72) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL847493 0.84 TRPV1 (0.70) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846670 0.83 TRPV1 (0.55) TRPV1HTR2CMCHR1KITKDR
SCHEMBL847748 0.82 TRPV1 (0.72) TRPV1MCHR1
SCHEMBL846298 0.78 TRPV1 (0.51) TRPV1KITKDRNPC1RAB9A
SCHEMBL847500 0.78 TRPV1 (0.46) TRPV1HTR2CMCHR1KDRNPC1
SCHEMBL846491 0.76 TRPV1 (0.71) TRPV1KDRNPC1RAB9AKDM4E
SCHEMBL846664 0.76 TRPV1 (0.51) TRPV1KITNPC1RAB9AKDM4E

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 claimed