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SCHEMBL7086893

SCHEMBL7086893

CN1C(=O)[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)N=C(c2ccccc2)c2cc(N)ccc21

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.65
▸ CCKBR P32239 8/20 0.59
▸ CCKAR P32238 2/20 0.57
▸ HDAC3 O15379 5/20 0.54
▸ HDAC4 P56524 5/20 0.54
▸ HDAC1 Q13547 5/20 0.54
▸ HDAC7 Q8WUI4 5/20 0.54
▸ HDAC2 Q92769 5/20 0.54
▸ HDAC10 Q969S8 5/20 0.54
▸ HDAC11 Q96DB2 5/20 0.54
▸ HDAC8 Q9BY41 5/20 0.54
▸ HDAC6 Q9UBN7 5/20 0.54
▸ HDAC9 Q9UKV0 5/20 0.54
▸ HDAC5 Q9UQL6 5/20 0.54
▸ NOTCH1 P46531 1/20 0.52
▸ RBPJ Q06330 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ PDE3A Q14432 1/20 0.52

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
SCHEMBL7139237 1.00 KCNH2 (0.65) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL7092631 0.92 KCNH2 (0.57) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8612048 0.92 KCNH2 (0.57) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8611973 0.91 KCNH2 (0.77) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8611972 0.91 KCNH2 (0.77) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL7087487 0.87 KCNH2 (0.61) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8607418 0.87 KCNH2 (0.61) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8609501 0.86 KCNH2 (0.61) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL7092303 0.86 KCNH2 (0.61) KCNH2CCKBRCCKARHDAC3HDAC4
Hydrochloric Acid SCHEMBL7093874 0.86 KCNH2 (0.64) KCNH2CCKBRCCKARHDAC3HDAC4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730454-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 2003-06-04 — — EP disclosed
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 — — EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 — — EP disclosed
EP-0730453-A4 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 1998-03-04 — — EP disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 — — WO disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 — — WO disclosed
CN-1142184-A Antiarrhythmic benzodiazepines * MERCK & CO INC (US) 1997-02-05 — — CN disclosed
US-5597818-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-28 — — US disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 — — US disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 — — EP disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 — — EP disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 — — US disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 — — US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 — — WO disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 — — WO disclosed