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SCHEMBL878856

SCHEMBL878856

COc1ccc2c(c1)C=C(c1c(C(=O)N3CC(C)OC(C)C3)nnn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 7/20 0.51
▸ KCNH2 Q12809 7/20 0.48
▸ CYP3A4 P08684 3/20 0.47
▸ SCN5A Q14524 2/20 0.47
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SCN9A Q15858 6/20 0.37

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
SCHEMBL841293 1.00 NR1I2 (0.51) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL840680 0.94 NR1I2 (0.52) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL10272116 0.94 NR1I2 (0.52) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL840865 0.93 KCNH2 (0.49) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL879043 0.93 KCNH2 (0.49) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL842232 0.92 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL862968 0.90 NR1I2 (0.51) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL862740 0.90 NR1I2 (0.51) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL840521 0.89 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL842242 0.88 NR1I2 (0.51) 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-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 — — WO disclosed