SCHEMBL8307942

SCHEMBL8307942

Brc1cc(Br)cc(Cc2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TBXAS1 P24557 7/20 0.46
CHRNA7 P36544 1/20 0.46
MMP2 P08253 1/20 0.45
CYP19A1 P11511 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44

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
SCHEMBL17922967 0.88 MEN1 (0.45) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL14257669 0.86 CYP1A2 (0.56) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL8309349 0.84 TBXAS1 (0.51) CYP11B1CYP11B2CYP1A2CYP2D6TBXAS1
SCHEMBL727185 0.83 CYP1A2 (0.62) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL1773262 0.82 TBXAS1 (0.56) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL7384351 0.80 CYP1A2 (0.43) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL17670548 0.79 CYP2A6 (0.46) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL29995759 0.77 CYP11B1 (0.65) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL177863 0.77 CYP11B1 (0.65) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL22131463 0.77 CYP11B1 (0.47) CYP11B1CYP11B2HRH4HRH3CYP1A2

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 5 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
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