SCHEMBL7090513

SCHEMBL7090513

CN1C(=S)C(NC(=O)CCC2CCCCC2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.81
CCKBR P32239 7/20 0.56
CCKAR P32238 1/20 0.56
HDAC3 O15379 5/20 0.55
HDAC4 P56524 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC7 Q8WUI4 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC10 Q969S8 5/20 0.55
HDAC11 Q96DB2 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC9 Q9UKV0 5/20 0.55
HDAC5 Q9UQL6 5/20 0.55
PSEN1 P49768 2/20 0.55
PSEN2 P49810 2/20 0.55
APH1B Q8WW43 2/20 0.55
NCSTN Q92542 2/20 0.55
APH1A Q96BI3 2/20 0.55
PSENEN Q9NZ42 2/20 0.55

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
SCHEMBL7090700 0.90 KCNH2 (1.00) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL7087129 0.90 KCNH2 (1.00) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8608852 0.84 KCNH2 (0.89) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8802509 0.83 HDAC3 (0.59) KCNH2CCKBRHDAC3HDAC4HDAC1
SCHEMBL8761589 0.83 KCNH2 (0.80) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8761581 0.81 KCNH2 (0.78) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8760297 0.81 KCNH2 (0.78) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8912794 0.81 CCKBR (0.61) CCKBRCCKAR
SCHEMBL7207237 0.81 KCNH2 (0.69) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL7213180 0.81 KCNH2 (0.63) KCNH2CCKBRCCKARHDAC3HDAC1

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 20 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
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US 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
US-5679672-A ANITARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1997-10-21 US disclosed
EP-0730596-A4 BENZODIAZEPINES MERCK & CO INC (US) 1997-07-30 EP 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-0730596-A1 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-1995014694-A1 BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO 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