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SCHEMBL17029587

SCHEMBL17029587

COc1ccc2c(c1)C1CC1(C(=O)N1C3CC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)cc21

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.77
▸ CYP3A4 P08684 3/20 0.77
▸ SCN5A Q14524 2/20 0.77
▸ NR1I2 O75469 9/20 0.72
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ SCN9A Q15858 4/20 0.39

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
SCHEMBL54290 0.97 KCNH2 (0.80) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL17029586 0.95 KCNH2 (0.75) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL17029563 0.93 KCNH2 (0.79) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL54374 0.92 KCNH2 (0.78) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL4888098 0.92 KCNH2 (0.84) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL17029565 0.91 KCNH2 (0.82) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL17029593 0.91 KCNH2 (0.82) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL54923 0.90 KCNH2 (0.82) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL4882932 0.90 KCNH2 (0.82) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL13791647 0.90 KCNH2 (0.82) KCNH2CYP3A4SCN5ANR1I2CYP2C9

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
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 — — EP disclosed