SCHEMBL8309577

SCHEMBL8309577

O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2ncc[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.70
TBXA2R P21731 1/20 0.64

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
SCHEMBL8309517 0.90 TBXAS1 (0.66) TBXAS1TBXA2R
SCHEMBL8308715 0.88 TBXAS1 (0.55) TBXAS1TBXA2R
SCHEMBL8306419 0.83 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8308584 0.79 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8308553 0.79 TBXAS1 (0.51) TBXAS1
SCHEMBL14327858 0.79 TBXA2R (1.00) TBXAS1TBXA2R
SCHEMBL27316638 0.79 TBXAS1 (0.77) TBXAS1TBXA2R
SCHEMBL8595578 0.79 TBXAS1 (0.77) TBXAS1TBXA2R
SCHEMBL9130164 0.78 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL8595627 0.76 TBXAS1 (0.73) TBXAS1TBXA2R

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