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SCHEMBL14080258

SCHEMBL14080258

COc1ccc2c(c1)[C@@H]1CC1(C(=O)N1CC3CN(C(=O)N4CCCC4)CC3C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 10/20 0.81
▸ KCNH2 Q12809 7/20 0.76
▸ CYP3A4 P08684 3/20 0.75
▸ SCN5A Q14524 2/20 0.75
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ SCN9A Q15858 3/20 0.40

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
SCHEMBL2351189 1.00 NR1I2 (0.81) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL2347167 0.93 NR1I2 (0.86) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL2339760 0.93 NR1I2 (0.83) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL825117 0.93 NR1I2 (0.77) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL12450598 0.91 NR1I2 (0.83) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL2346659 0.91 NR1I2 (0.83) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13869220 0.91 NR1I2 (0.87) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14567185 0.91 NR1I2 (0.85) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13868632 0.90 NR1I2 (0.79) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL2344027 0.90 NR1I2 (0.81) 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-2008112841-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 — — WO disclosed