SCHEMBL860045

SCHEMBL860045

O=C(Nc1cc2ccccc2nc1F)c1ccc(NCC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.48
EPHX1 P07099 1/20 0.43
BACE1 P56817 1/20 0.43
LDLR P01130 3/20 0.42
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAMPT P43490 2/20 0.40
CNR1 P21554 2/20 0.40
NPC1 O15118 1/20 0.39
S1PR1 P21453 1/20 0.39
CNR2 P34972 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
SCHEMBL846515 0.88 TRPV1 (0.48) TRPV1EPHX1BACE1LDLRMEN1
SCHEMBL847005 0.81 TRPV1 (0.72) TRPV1NPC1
SCHEMBL846060 0.81 TRPV1 (0.72) TRPV1NPC1
SCHEMBL847493 0.80 TRPV1 (0.70) TRPV1NPC1
SCHEMBL860046 0.78 TRPV1 (0.67) TRPV1BACE1RXFP1MEN1KMT2A
SCHEMBL847374 0.78 NAMPT (0.45) TRPV1CTNNB1TCF7L2NAMPTNPC1
SCHEMBL846205 0.75 TRPV1 (0.45) TRPV1MEN1KMT2ACNR1S1PR1
SCHEMBL846298 0.74 TRPV1 (0.51) TRPV1EPHX1RXFP1NAMPTNPC1
SCHEMBL846670 0.73 TRPV1 (0.55) TRPV1CTNNB1TCF7L2NAMPTNPC1
SCHEMBL11192383 0.72 SMN1; SMN2 (0.54) EPHX1MEN1KMT2AHDAC3HDAC1

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