SCHEMBL4057406

SCHEMBL4057406

CC1CC(=O)N(c2ccccn2)N=C1c1ccc(OC2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.42
PDCD1 Q15116 2/20 0.42
FFAR1 O14842 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
CHRM2 P08172 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
SCD O00767 1/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL1373482 0.90 GPR119 (0.54) CD274PDCD1FFAR1GPR119
SCHEMBL10197554 0.85 HRH3 (0.58) HRH3CHRM2KCNH2
SCHEMBL1376276 0.85 HRH3 (0.58) HRH3CHRM2KCNH2
SCHEMBL11399891 0.75 CD274 (0.47) CD274PDCD1HRH3PDE4APDE4B
SCHEMBL14308934 0.74 HRH3 (0.56) HRH3CHRM2KCNH2
SCHEMBL4062342 0.73 HRH3 (0.75) HRH3CHRM2KCNH2ALDH1A1
SCHEMBL2454882 0.72 GPR119 (0.51) HRH3CHRM2GPR119ALDH1A1EPHX2
SCHEMBL5271411 0.69 EPHX2 (0.59) EPHX2
SCHEMBL3612132 0.67 HRH3 (0.61) CD274PDCD1HRH3CHRM2KCNH2
SCHEMBL5152829 0.67 EPHX2 (0.63) HRH3GPR119EPHX2

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-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
EP-2502918-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-09-26 EP disclosed
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed