Sugi Predict

Sugi Predict / Compounds / SCHEMBL14435391

SCHEMBL14435391

SCHEMBL14435391

CNC(=O)N1CCn2c(c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc32)-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 9/20 0.58
▸ SCN9A Q15858 6/20 0.51
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KCNH2 Q12809 4/20 0.47
▸ SCN5A Q14524 2/20 0.47
▸ PRKCA P17252 1/20 0.41
▸ MMP12 P39900 1/20 0.41

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
SCHEMBL4831416 0.92 NR1I2 (0.60) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14253480 0.91 NR1I2 (0.59) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14253463 0.88 NR1I2 (0.56) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14253835 0.84 NR1I2 (0.55) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14253196 0.83 NR1I2 (0.62) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14435357 0.83 SCN9A (0.54) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14253273 0.82 NR1I2 (0.62) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14253464 0.81 NR1I2 (0.60) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL5927398 0.81 NR1I2 (0.60) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL14435351 0.80 SCN9A (0.67) NR1I2SCN9AKCNH2SCN5A

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-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed