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SCHEMBL13258643

SCHEMBL13258643

COc1ccc2c(c1)C=C(c1c(C(=O)N3CC(C)N(C)C(C)C3)ncn1C(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.51
▸ NR1I2 O75469 6/20 0.44
▸ SCN9A Q15858 7/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ SCN5A Q14524 2/20 0.41
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL840273 1.00 KCNH2 (0.51) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL10272117 0.94 KCNH2 (0.49) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL842095 0.94 KCNH2 (0.49) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL840966 0.91 NR1I2 (0.52) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL862729 0.90 KCNH2 (0.52) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL840789 0.90 KCNH2 (0.51) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL13258714 0.90 KCNH2 (0.51) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL841955 0.90 KCNH2 (0.61) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL10272268 0.90 KCNH2 (0.51) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL863058 0.88 KCNH2 (0.51) KCNH2NR1I2SCN9ACYP3A4SCN5A

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