SCHEMBL8304913

SCHEMBL8304913

CCOC(=O)CCc1cc(CCNC(=O)OC(C)(C)C)cc(Cn2ccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.45
NAMPT P43490 3/20 0.42
AGTR2 P50052 4/20 0.42
CYP11B1 P15538 3/20 0.41
CYP17A1 P05093 2/20 0.41
CYP21A2 P08686 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CYP11B2 P19099 1/20 0.39
WDR5 P61964 1/20 0.38

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
SCHEMBL8304735 0.81 TBXAS1 (0.61) TBXAS1NAMPTCYP11B1ALDH1A1ABL1
SCHEMBL8307497 0.80 ALDH1A1 (0.47) TBXAS1NAMPTAGTR2CYP11B1CYP17A1
SCHEMBL8309155 0.80 CYP17A1 (0.47) TBXAS1NAMPTCYP17A1CYP3A4
SCHEMBL8705229 0.78 ALDH1A1 (0.45) TBXAS1NAMPTAGTR2CYP11B1ALDH1A1
SCHEMBL4495406 0.78 CYP4F2 (0.56) NAMPT
SCHEMBL11487884 0.77 CYP11B1 (0.56) TBXAS1CYP11B1ALDH1A1ABL1RIN1
SCHEMBL8307372 0.77 TBXAS1 (0.53) TBXAS1CYP3A4ALDH1A1
SCHEMBL8304690 0.77 TBXAS1 (0.78) TBXAS1NAMPTAGTR2ALDH1A1
SCHEMBL11474932 0.77 TBXAS1 (0.67) TBXAS1CYP11B1CYP3A4ALDH1A1ABL1
SCHEMBL8705232 0.76 TBXAS1 (0.46) TBXAS1NAMPTAGTR2CYP11B1ALDH1A1

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