SCHEMBL7479989

SCHEMBL7479989

CN(C)/C=C(/C(=O)c1ccc(C#N)cc1)c1ccc(C#N)cc1.COC(OC)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 12/20 0.47
▸ CYP11B2 P19099 9/20 0.47
▸ GSK3B P49841 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ CTSG P08311 1/20 0.36
▸ CTRB1 P17538 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35

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
SCHEMBL6737207 0.88 CYP11B1 (0.53) CYP11B1CYP11B2GSK3BCA1CA2
SCHEMBL6737213 0.88 CYP11B1 (0.53) CYP11B1CYP11B2GSK3BCA1CA2
Dimethylformamide SCHEMBL7479987 0.85 CYP11B1 (0.46) CYP11B1CYP11B2GSK3BCA1CA2
SCHEMBL23839943 0.78 CYP11B1 (0.48) CYP11B1CYP11B2GSK3BCA1CA2
SCHEMBL11013190 0.76 CYP11B1 (0.47) CYP11B1CYP11B2GSK3BCA1CA2
SCHEMBL11009980 0.76 CYP11B1 (0.47) CYP11B1CYP11B2GSK3BCA1CA2
SCHEMBL23832223 0.76 CYP11B1 (0.47) CYP11B1CYP11B2GSK3BCA1CA2
SCHEMBL16110488 0.72 CYP2C9 (0.50) CYP11B1CYP11B2GSK3BALDH1A1MAPT
SCHEMBL16110489 0.72 CYP2C9 (0.50) CYP11B1CYP11B2GSK3BALDH1A1MAPT
SCHEMBL30144859 0.72 CYP2C9 (0.50) CYP11B1CYP11B2GSK3BALDH1A1MAPT

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-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 — — EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 — — WO disclosed
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