SCHEMBL8309271

SCHEMBL8309271

CCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Oc2cccnc2)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.79
TSHR P16473 1/20 0.48
AKR1C3 P42330 1/20 0.46
TBXA2R P21731 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL8306671 0.92 TBXAS1 (0.79) TBXAS1TSHRTBXA2R
SCHEMBL8309534 0.89 TBXAS1 (1.00) TBXAS1TBXA2RALDH1A1
SCHEMBL8308578 0.87 TBXAS1 (0.77) TBXAS1TSHR
SCHEMBL8309013 0.84 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL8309142 0.84 TBXAS1 (0.70) TBXAS1TSHRTBXA2RALDH1A1LMNA
SCHEMBL8309682 0.83 TBXAS1 (0.60) TBXAS1
SCHEMBL8306769 0.82 TBXAS1 (0.63) TBXAS1TSHRALDH1A1LMNA
SCHEMBL8304384 0.81 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL8306012 0.81 TBXAS1 (0.79) TBXAS1TSHRTBXA2R
SCHEMBL8307041 0.80 TBXAS1 (0.49) TBXAS1TSHRALDH1A1LMNA

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