SCHEMBL7744135

SCHEMBL7744135

CC[C@@H](C)N1C(=O)C(NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.72
CCKBR P32239 6/20 0.51
CCKAR P32238 2/20 0.51
NOTCH1 P46531 1/20 0.46
NOTCH3 Q9UM47 1/20 0.46
PSEN1 P49768 6/20 0.46
PSEN2 P49810 6/20 0.46
APH1B Q8WW43 6/20 0.46
NCSTN Q92542 6/20 0.46
APH1A Q96BI3 6/20 0.46
PSENEN Q9NZ42 6/20 0.46
GSAP A4D1B5 1/20 0.45

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
SCHEMBL7744593 1.00 KCNH2 (0.72) KCNH2CCKBRCCKARNOTCH1NOTCH3
SCHEMBL8760273 0.93 KCNH2 (0.75) KCNH2CCKBRCCKARNOTCH1NOTCH3
SCHEMBL7744124 0.88 KCNH2 (0.55) KCNH2CCKBRCCKARPSEN1PSEN2
SCHEMBL7744000 0.88 KCNH2 (0.55) KCNH2CCKBRCCKARPSEN1PSEN2
SCHEMBL7965787 0.87 KCNH2 (0.85) KCNH2CCKBRCCKARNOTCH1NOTCH3
SCHEMBL8820683 0.85 KCNH2 (0.77) KCNH2CCKBRCCKARNOTCH1NOTCH3
SCHEMBL7744138 0.84 KCNH2 (0.80) KCNH2CCKBRCCKAR
L-768673 SCHEMBL7207125 0.84 KCNH2 (1.00) KCNH2CCKBRCCKAR
SCHEMBL8761391 0.83 KCNH2 (0.61) KCNH2CCKBRCCKARGSAP
SCHEMBL8760328 0.80 CCKBR (0.59) KCNH2CCKBRCCKARPSEN1PSEN2

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