SCHEMBL8308082

SCHEMBL8308082

CCOC(=O)CCc1cc(CCN)cc(Cc2ncc[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MAPT P10636 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
CYP1A2 P05177 1/20 0.37
TBXAS1 P24557 2/20 0.36
HTR1A P08908 1/20 0.36
DPP4 P27487 1/20 0.36
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP4Z1 Q86W10 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL8304739 0.89 TBXAS1 (0.46) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL11487887 0.84 TAAR1 (0.48) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL11474938 0.84 CYP4F2 (0.56) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL8705235 0.83 CYP4F2 (0.37) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL3591993 0.80 MAPT (0.52) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL8304916 0.80 PDE3B (0.36) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL8308006 0.79 CYP4F2 (0.47) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL11475112 0.78 ALOX5 (0.51) CYP4F2CYP4A11MAPTTAAR1CYP1A2
SCHEMBL11477432 0.77 ALOX5 (0.52) CYP4F2CYP4A11MAPTTAAR1CYP1A2
SCHEMBL8308553 0.76 TBXAS1 (0.51) CYP1A2TBXAS1ALDH1A1

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-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed
EP-0579618-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1994-01-26 EP disclosed
WO-1992017451-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1992-10-15 WO disclosed