SCHEMBL7744138

SCHEMBL7744138

CCCCN1C(=O)C(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.80
CCKBR P32239 6/20 0.53
CCKAR P32238 2/20 0.53
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
CALCRL Q16602 1/20 0.47

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
SCHEMBL7965787 0.92 KCNH2 (0.85) KCNH2CCKBRCCKARHDAC3HDAC4
L-768673 SCHEMBL7207125 0.89 KCNH2 (1.00) KCNH2CCKBRCCKARCALCRL
SCHEMBL7743998 0.88 KCNH2 (0.61) KCNH2CCKBR
SCHEMBL8820683 0.85 KCNH2 (0.77) KCNH2CCKBRCCKARHDAC3HDAC4
SCHEMBL8760273 0.85 KCNH2 (0.75) KCNH2CCKBRCCKARCALCRL
SCHEMBL7744593 0.84 KCNH2 (0.72) KCNH2CCKBRCCKAR
SCHEMBL7744135 0.84 KCNH2 (0.72) KCNH2CCKBRCCKAR
SCHEMBL8745076 0.83 KCNH2 (0.89) KCNH2CALCRL
SCHEMBL8462992 0.79 KCNH2 (0.82) KCNH2CALCRL
L-768673 SCHEMBL8466533 0.79 KCNH2 (0.74) KCNH2CCKBRCCKARCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001010216-A1 ANTIARRHYTHMIC COMPOUNDS MERCK & CO., INC. (US) 2001-02-15 WO claimed