SCHEMBL4064155

SCHEMBL4064155

CC1CC(=O)NN=C1c1ccc(OCCCC2CCNC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.61
KCNH2 Q12809 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
PDE3A Q14432 13/20 0.46
PDE3B Q13370 10/20 0.46
PDE4B Q07343 7/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
ABCB11 O95342 1/20 0.45
MAOA P21397 1/20 0.45
ADORA2A P29274 1/20 0.45

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
SCHEMBL4065277 0.94 HRH3 (0.62) HRH3KCNH2GPR119PDE3APDE3B
SCHEMBL7291472 0.81 HRH3 (0.70) HRH3KCNH2GPR119PDE3APDE3B
SCHEMBL9484349 0.81 HRH3 (0.70) HRH3KCNH2PDE3APDE3BPDE4B
SCHEMBL7300116 0.79 HRH3 (0.68) HRH3KCNH2GPR119PDE3APDE3B
SCHEMBL1372854 0.76 HRH3 (0.69) HRH3KCNH2GPR119PDE3APDE3B
SCHEMBL1376025 0.76 HRH3 (1.00) HRH3KCNH2GPR119PDE3APDE3B
SCHEMBL1376834 0.75 HRH3 (1.00) HRH3KCNH2GPR119PDE3APDE3B
SCHEMBL1376792 0.75 HRH3 (1.00) HRH3KCNH2
SCHEMBL1376796 0.75 HRH3 (1.00) HRH3KCNH2
SCHEMBL10353457 0.74 PDE3B (0.71) PDE3APDE3BPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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