SCHEMBL8304970

SCHEMBL8304970

CC(C)CC(=O)NCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.69

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
SCHEMBL8310008 0.87 TBXAS1 (0.52) TBXAS1
SCHEMBL13774769 0.84 KMT2A (0.56)
SCHEMBL8306298 0.81 TBXAS1 (1.00) TBXAS1
SCHEMBL8304831 0.81 TBXAS1 (0.74) TBXAS1
SCHEMBL8543330 0.80 TBXAS1 (0.46) TBXAS1
SCHEMBL8305168 0.79 TBXAS1 (0.78) TBXAS1
SCHEMBL8544713 0.79 TBXAS1 (0.51) TBXAS1
SCHEMBL8306642 0.78 TBXAS1 (0.57) TBXAS1
SCHEMBL8541916 0.78 TBXAS1 (0.55) TBXAS1
SCHEMBL8308559 0.77 TBXAS1 (0.58) TBXAS1

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