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Sugi Predict / Compounds / SCHEMBL14070646

SCHEMBL14070646

SCHEMBL14070646

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2CC2(C=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.51
▸ SCN9A Q15858 7/20 0.44
▸ NR1I2 O75469 5/20 0.43
▸ CYP3A4 P08684 4/20 0.41
▸ SCN5A Q14524 2/20 0.41
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 1/20 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
SCHEMBL12450037 0.91 SCN9A (0.45) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL13843554 0.90 KCNH2 (0.54) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL12154531 0.90 SCN9A (0.44) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL10082380 0.89 KCNH2 (0.52) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL5048195 0.89 KCNH2 (0.52) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL13563554 0.88 KCNH2 (0.51) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL13563536 0.87 KCNH2 (0.50) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL12053967 0.84 KCNH2 (0.63) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL14081198 0.84 KCNH2 (0.54) KCNH2SCN9ANR1I2CYP3A4SCN5A
SCHEMBL850768 0.84 KCNH2 (0.52) KCNH2SCN9ANR1I2CYP3A4SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112848-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 — — WO disclosed
WO-2008112473-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 — — WO disclosed