SCHEMBL8308677

SCHEMBL8308677

CCOC(=O)CCc1cc(CCN)cc(C(O)c2cccnc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
LMNA P02545 3/20 0.36
CYP4Z1 Q86W10 1/20 0.35
SYK P43405 4/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
AKR1C3 P42330 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8307940 0.95 CYP4F2 (0.43) CYP4F2CYP4A11LMNACYP4Z1SYK
SCHEMBL8304781 0.91 PPARG (0.40) CYP4F2CYP4A11LMNACYP4Z1SYK
SCHEMBL8304255 0.82 TBXAS1 (0.47) LMNAALDH1A1MAPT
SCHEMBL8310033 0.81 HDAC3 (0.42) LMNAMAPT
SCHEMBL8308752 0.80 TBXAS1 (0.56)
SCHEMBL8308679 0.74 CYP4F2 (0.41) CYP4F2CYP4A11LMNACYP4Z1ALDH1A1
SCHEMBL8308660 0.73 TBXAS1 (0.49) CYP4F2CYP4A11
SCHEMBL8308483 0.72 CYP3A4 (0.45) P2RY12
SCHEMBL8308006 0.72 CYP4F2 (0.47) CYP4F2CYP4A11LMNACYP4Z1SYK
SCHEMBL8307041 0.71 TBXAS1 (0.49) CYP4F2CYP4A11LMNAALDH1A1KDM4E

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-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