SCHEMBL8308006

SCHEMBL8308006

CCOC(=O)CCc1cc(CCN)cc(Cc2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.42
NAMPT P43490 1/20 0.42
CYP1A2 P05177 1/20 0.40
TBXAS1 P24557 2/20 0.39
MAPT P10636 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
PPID Q08752 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8310260 0.88 TBXAS1 (0.50) CYP4F2CYP4A11NAMPTTBXAS1MAPT
SCHEMBL8308660 0.85 TBXAS1 (0.49) CYP4F2CYP4A11TBXAS1
SCHEMBL8593152 0.85 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2MAPTCYP4Z1
SCHEMBL8707662 0.84 CYP4F2 (0.44) CYP4F2CYP4A11NAMPTTBXAS1MAPT
SCHEMBL8707667 0.82 CYP4F2 (0.42) CYP4F2CYP4A11NAMPTTBXAS1MAPT
SCHEMBL2412884 0.82 CYP4F2 (0.67) CYP4F2CYP4A11NAMPTMAPTCYP4Z1
SCHEMBL8308082 0.79 CYP4F2 (0.41) CYP4F2CYP4A11CYP1A2TBXAS1MAPT
SCHEMBL8309251 0.79 TBXAS1 (0.51) TBXAS1ALDH1A1
SCHEMBL8819359 0.79 CYP4F2 (0.72) CYP4F2CYP4A11CYP1A2MAPTCYP4Z1
SCHEMBL8309155 0.79 CYP17A1 (0.47) CYP4F2CYP4A11NAMPTTBXAS1MAPT

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 3 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-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed