SCHEMBL847375

SCHEMBL847375

CN(c1ccc(C(=O)Nc2ccc3cc(F)ccc3n2)cc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.58
KCNH2 Q12809 1/20 0.47
MAPT P10636 2/20 0.44
ITK Q08881 2/20 0.44
MCHR1 Q99705 3/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 2/20 0.40
HTR1F P30939 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL846980 0.84 TRPV1 (0.80) TRPV1KCNH2NPC1RAB9A
SCHEMBL847374 0.78 NAMPT (0.45) TRPV1MCHR1NPC1RAB9APOLB
SCHEMBL860046 0.77 TRPV1 (0.67) TRPV1KCNH2MAPTNPC1RAB9A
SCHEMBL846639 0.76 RAB9A (0.59) MAPTMCHR1NPC1RAB9APOLB
SCHEMBL845831 0.75 TRPV1 (0.75) TRPV1MCHR1NPC1RAB9APOLB
SCHEMBL847137 0.74 TRPV1 (1.00) TRPV1NPC1RAB9A
SCHEMBL846514 0.74 TRPV1 (0.68) TRPV1MAPTNPC1RAB9AMEN1
SCHEMBL846061 0.74 TRPV1 (1.00) TRPV1NPC1RAB9A
SCHEMBL847748 0.73 TRPV1 (0.72) TRPV1MCHR1
SCHEMBL847641 0.72 TRPV1 (0.98) TRPV1NPC1RAB9A

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