SCHEMBL3667555

SCHEMBL3667555

CCCNc1ccccc1C(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
IDO1 P14902 1/20 0.45
GLA P06280 1/20 0.42
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
PRSS1 P07477 3/20 0.38
CNR2 P34972 4/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE5A O76074 1/20 0.37
CNR1 P21554 1/20 0.37
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL11785939 0.88 CNR2 (0.49) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL21501690 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL5392212 0.82 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL2493412 0.81 IDO1 (0.50) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL17234479 0.78 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL963365 0.77 L3MBTL1 (0.49) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL14470975 0.76 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL1902821 0.76 HPGD (0.69) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL28454558 0.76 ADRA1A (0.53) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL11512622 0.76 IDO1 (0.55) KDM4EIDO1GLAHTTMAPT

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 6 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
US-7459442-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-12-02 US 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