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SCHEMBL8745241

SCHEMBL8745241

CN(C)C1=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C(=O)N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.67
▸ OXTR P30559 10/20 0.48
▸ CCKBR P32239 6/20 0.42

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
SCHEMBL9266454 0.88 KCNH2 (0.62) KCNH2OXTRCCKBR
SCHEMBL9266063 0.86 KCNH2 (0.59) KCNH2OXTRCCKBR
SCHEMBL7091166 0.80 KCNH2 (1.00) KCNH2OXTRCCKBR
SCHEMBL9265881 0.80 KCNH2 (0.62) KCNH2OXTRCCKBR
SCHEMBL8745172 0.79 KCNH2 (0.58) KCNH2OXTRCCKBR
SCHEMBL9269301 0.78 KCNH2 (0.57) KCNH2CCKBR
SCHEMBL4702944 0.77 KCNH2 (0.63) KCNH2CCKBR
SCHEMBL4697879 0.77 KCNH2 (0.62) KCNH2OXTRCCKBR
SCHEMBL8611972 0.77 KCNH2 (0.77) KCNH2CCKBR
SCHEMBL8611973 0.77 KCNH2 (0.77) KCNH2CCKBR

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-0730584-A4 3-ACYLAMINOBENZODIAZEPINES MERCK & CO INC (US) 1997-03-19 — — EP disclosed
EP-0730584-A1 3-ACYLAMINOBENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 — — EP disclosed
US-5428157-A Antiarrhythmia agents MERCK & CO., INC. (US) 1995-06-27 — — US disclosed
WO-1995014676-A1 3-ACYLAMINOBENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 — — WO disclosed