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SCHEMBL14435700

SCHEMBL14435700

COc1ccc2c(c1)C=C(C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NO)cc21

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.66
▸ KCNH2 Q12809 7/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ SCN5A Q14524 2/20 0.42
▸ SCN9A Q15858 5/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 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
SCHEMBL13936871 0.93 NR1I2 (0.62) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL4828013 0.92 NR1I2 (0.68) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13936872 0.92 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940106 0.92 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13936891 0.91 NR1I2 (0.81) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940672 0.91 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940670 0.91 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940103 0.89 NR1I2 (0.64) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940244 0.87 NR1I2 (0.56) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3946135 0.87 NR1I2 (0.75) NR1I2KCNH2CYP3A4SCN5ASCN9A

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