SCHEMBL8309401

SCHEMBL8309401

COC(=O)C(C)Cc1cc(CCN)cc(Cc2cccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.52
CHRNA7 P36544 1/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL8308559 0.88 TBXAS1 (0.58) TBXAS1
SCHEMBL8703687 0.83 TBXAS1 (0.57) TBXAS1ALDH1A1LMNAF2F10
SCHEMBL8308276 0.83 TBXAS1 (0.49) TBXAS1
SCHEMBL8309224 0.82 CYP3A4 (0.48) TBXAS1
SCHEMBL8701528 0.82 TBXAS1 (0.49) TBXAS1ALDH1A1LMNANLRP3
SCHEMBL16508902 0.82 TBXAS1 (0.57) TBXAS1ALDH1A1LMNANLRP3
SCHEMBL8306676 0.79 TBXAS1 (0.70) TBXAS1
SCHEMBL8308660 0.77 TBXAS1 (0.49) TBXAS1CHRNA7
SCHEMBL11059401 0.72 TBXAS1 (0.71) TBXAS1ALDH1A1LMNA
SCHEMBL8309308 0.72 TBXAS1 (0.60) TBXAS1LMNA

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 4 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
EP-0579618-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1994-01-26 EP disclosed
WO-1992017451-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1992-10-15 WO disclosed