SCHEMBL8612469

SCHEMBL8612469

CN1C(=O)[C@H](NC(=O)CCc2ccccc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.66
HDAC4 P56524 5/20 0.66
HDAC1 Q13547 5/20 0.66
HDAC7 Q8WUI4 5/20 0.66
HDAC2 Q92769 5/20 0.66
HDAC10 Q969S8 5/20 0.66
HDAC11 Q96DB2 5/20 0.66
HDAC8 Q9BY41 5/20 0.66
HDAC6 Q9UBN7 5/20 0.66
HDAC9 Q9UKV0 5/20 0.66
HDAC5 Q9UQL6 5/20 0.66
KCNH2 Q12809 1/20 0.65
CCKBR P32239 11/20 0.63
CCKAR P32238 2/20 0.62

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
SCHEMBL8608947 0.87 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8608945 0.87 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8610005 0.85 CCKBR (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7170310 0.85 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8608841 0.85 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8609751 0.83 CCKBR (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8927406 0.83 CCKBR (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8610322 0.83 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8610318 0.83 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14180347 0.82 CCKBR (0.75) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1074926-C Antiarrhythmic benzodiazepines MERCK & CO INC (US) 2001-11-21 CN 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
CN-1142184-A Antiarrhythmic benzodiazepines * MERCK & CO INC (US) 1997-02-05 CN disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 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