SCHEMBL7744126

SCHEMBL7744126

CCCN1C(=O)C(N(C(C)=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.42
BDKRB1 P46663 6/20 0.41
KCNH2 Q12809 1/20 0.39
CCKAR P32238 2/20 0.34
KLRK1 P26718 1/20 0.33
MICA Q29983 1/20 0.33
RAET1L Q5VY80 1/20 0.33

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
SCHEMBL7744120 0.86 KCNH2 (0.36) CCKBRBDKRB1KCNH2CCKARKLRK1
SCHEMBL7743995 0.86 KCNH2 (0.36) CCKBRBDKRB1KCNH2CCKARKLRK1
SCHEMBL7744588 0.78 CCKBR (0.44) CCKBRBDKRB1KCNH2
SCHEMBL7743998 0.74 KCNH2 (0.61) CCKBRBDKRB1KCNH2
SCHEMBL7744132 0.73 KCNH2 (0.45) CCKBRKCNH2CCKAR
SCHEMBL7744591 0.73 KCNH2 (0.45) CCKBRKCNH2CCKAR
SCHEMBL7744128 0.69 KCNH2 (0.52) CCKBRKCNH2
SCHEMBL8620108 0.68 KCNH2 (0.77) CCKBRKCNH2
SCHEMBL7744124 0.66 KCNH2 (0.55) CCKBRKCNH2CCKAR
SCHEMBL7744000 0.66 KCNH2 (0.55) CCKBRKCNH2CCKAR

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 disclosed