SCHEMBL8309224

SCHEMBL8309224

COC(=O)C(C)Cc1cc(CCNC(=O)OC(C)(C)C)cc(Cc2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.48
TBXAS1 P24557 9/20 0.48
NAMPT P43490 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL8308276 0.87 TBXAS1 (0.49) TBXAS1
SCHEMBL8309153 0.83 CYP3A4 (0.47) CYP3A4TBXAS1NAMPTIDO1
SCHEMBL8307372 0.82 TBXAS1 (0.53) CYP3A4TBXAS1
SCHEMBL8309401 0.82 TBXAS1 (0.52) TBXAS1
SCHEMBL8308559 0.81 TBXAS1 (0.58) TBXAS1
SCHEMBL8703687 0.77 TBXAS1 (0.57) TBXAS1
SCHEMBL8309308 0.77 TBXAS1 (0.60) TBXAS1
SCHEMBL8306676 0.76 TBXAS1 (0.70) TBXAS1
SCHEMBL8701528 0.75 TBXAS1 (0.49) TBXAS1
SCHEMBL16508902 0.75 TBXAS1 (0.57) CYP3A4TBXAS1

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