SCHEMBL8308679

SCHEMBL8308679

CCOC(=O)CCc1cc(CCN)cc(C(CO)c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
TBXAS1 P24557 7/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
CHRNA7 P36544 1/20 0.36
MME P08473 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8307943 0.95 CYP4F2 (0.45) CYP4F2CYP4A11TBXAS1PDE4DALDH1A1
SCHEMBL8304782 0.92 TBXAS1 (0.46) CYP4F2CYP4A11TBXAS1CYP4Z1
SCHEMBL8310036 0.82 LMNA (0.43) TBXAS1ALDH1A1LMNA
SCHEMBL8308660 0.81 TBXAS1 (0.49) CYP4F2CYP4A11TBXAS1CHRNA7
SCHEMBL8304256 0.80 SMN1; SMN2 (0.51) TBXAS1ALDH1A1MEN1KMT2A
SCHEMBL8308755 0.80 TBXAS1 (0.67) TBXAS1
SCHEMBL8307041 0.79 TBXAS1 (0.49) CYP4F2CYP4A11TBXAS1ALDH1A1KDM4E
SCHEMBL8309251 0.74 TBXAS1 (0.51) TBXAS1ALDH1A1
SCHEMBL8702346 0.74 TBXAS1 (0.49) TBXAS1
SCHEMBL8308677 0.74 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1KDM4ELMNA

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