SCHEMBL4056596

SCHEMBL4056596

COc1cc(-c2ccc(=O)[nH]n2)ccc1OCCCC1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.56
PDE4B Q07343 6/20 0.56
PDE4C Q08493 6/20 0.56
PDE4D Q08499 6/20 0.56
ACP1 P24666 6/20 0.50
PDE3B Q13370 6/20 0.49
PDE3A Q14432 6/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 5/20 0.45
CHRM2 P08172 1/20 0.41

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
SCHEMBL4060210 0.88 HRH3 (0.45) PDE4APDE4BPDE4CPDE4DACP1
SCHEMBL4065947 0.83 HRH3 (0.56) ACP1HRH3CHRM2SLC6A2ADRA1A
SCHEMBL4057147 0.83 HRH3 (0.56) ACP1LMNAHRH3CHRM2SLC6A2
SCHEMBL3405803 0.82 ACP1 (0.51) ACP1HPGDHRH3
SCHEMBL10761176 0.78 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8996763 0.77 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8635605 0.77 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4055490 0.77 HRH3 (0.56) PDE4BPDE3BPDE3ALMNACYP1A2
SCHEMBL4061241 0.76 HRH3 (0.48) ACP1HRH3CHRM2SLC6A2ADRA1A
SCHEMBL10267646 0.76 HRH3 (0.67) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP claimed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO claimed
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