SCHEMBL847222

SCHEMBL847222

CCCC1CCN(c2ccc(OC(=O)Nc3cnc4ccccc4c3)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.45
TRPV1 Q8NER1 7/20 0.44
SCN9A Q15858 1/20 0.43
HSD17B10 Q99714 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
CHRM4 P08173 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.41
SOAT1 P35610 1/20 0.41
NOTUM Q6P988 1/20 0.41
FAAH O00519 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL848254 0.88 FAAH (0.52) DGAT1TRPV1SCN9AHSD17B10RAB9A
SCHEMBL846733 0.85 TRPV1 (0.56) DGAT1TRPV1RAB9AKDM4ENPC1
SCHEMBL846441 0.84 NPC1 (0.57) TRPV1HSD17B10RAB9ALMNAPOLB
SCHEMBL846225 0.77 TRPV1 (0.60) TRPV1RAB9AKDM4ENPC1
SCHEMBL846587 0.72 FAAH (0.54) DGAT1TRPV1RAB9ALMNATSHR
SCHEMBL4108874 0.72 KDR (0.63) TRPV1HSD17B10RAB9ALMNAPOLB
SCHEMBL846566 0.71 HSD17B10 (0.44) TRPV1HSD17B10RAB9ALMNAPOLB
SCHEMBL30588392 0.71 DGAT1 (0.47) DGAT1TRPV1CHRM4CYP3A4SOAT1
SCHEMBL846485 0.70 HSD17B10 (0.43) TRPV1HSD17B10RAB9ALMNAPOLB
SCHEMBL30588459 0.70 DGAT1 (0.52) DGAT1TRPV1CYP3A4SOAT1

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