Sugi Predict

Sugi Predict / Compounds / SCHEMBL14070233

SCHEMBL14070233

SCHEMBL14070233

COc1ccc2c(c1)C1CC1(C(=O)N(C)CCN(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CCC(F)(F)F)cc21

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 10/20 0.63
▸ KCNH2 Q12809 7/20 0.62
▸ CYP3A4 P08684 3/20 0.60
▸ SCN5A Q14524 2/20 0.60
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ SCN9A Q15858 2/20 0.36
▸ PRKCA P17252 1/20 0.35
▸ MMP12 P39900 1/20 0.35

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
SCHEMBL1734228 0.90 KCNH2 (0.66) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14088492 0.90 NR1I2 (0.75) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4499492 0.90 NR1I2 (0.75) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14088525 0.90 NR1I2 (0.75) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14081128 0.87 KCNH2 (0.63) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3915913 0.87 KCNH2 (0.69) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL1734917 0.86 KCNH2 (0.81) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13790950 0.86 KCNH2 (0.67) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13791182 0.85 KCNH2 (0.68) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13791743 0.85 KCNH2 (0.75) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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