SCHEMBL3667559

SCHEMBL3667559

CCCNc1ccccc1C=NN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
APP P05067 1/20 0.33
PDE5A O76074 1/20 0.33
TLR8 Q9NR97 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2495323 0.80 IDO1 (0.46) IDO1HTTMAPTAPPPDE5A
SCHEMBL5546038 0.77 MEN1 (0.44) IDO1HTTMAPTPDE5AKDM4E
SCHEMBL10628437 0.77 IDO1 (0.43) IDO1HTTMAPTAPPPDE5A
SCHEMBL22962412 0.76 MAPT (0.39) IDO1HTTMAPTSPHK2SPHK1
SCHEMBL20375410 0.76 MAPT (0.39) IDO1HTTMAPTSPHK2SPHK1
SCHEMBL10313820 0.75 IDO1 (0.42) IDO1HTTMAPTAPPPDE5A
SCHEMBL11512622 0.74 IDO1 (0.55) IDO1HTTMAPTAPPPDE5A
SCHEMBL6096883 0.72 L3MBTL1 (0.40) HTTMAPTTLR8KDM4ENPC1
SCHEMBL6096888 0.72 L3MBTL1 (0.40) HTTMAPTTLR8KDM4ENPC1
SCHEMBL28787674 0.72 ALDH1A1 (0.45) HTTMAPTKDM4ECA12CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170846-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS Intervet International BV (NL) 2010-04-07 EP disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2007123949-A2 CANNABINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-11-01 WO disclosed
EP-1819684-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2007-08-22 EP disclosed
WO-2006060461-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2006-06-08 WO disclosed