SCHEMBL3706594

SCHEMBL3706594

COc1ccc2c(c1)C(O)n1c-2cc2c(C3CCCCC3)cc(C(=O)NS(=O)(=O)N(C)C)cc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
NR1I2 O75469 6/20 0.48
SCN5A Q14524 5/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN9A Q15858 6/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL3857111 0.88 KCNH2 (0.47) KCNH2NR1I2SCN5ACYP3A4CYP2C9
SCHEMBL5331634 0.84 PTGDR2 (0.43) KCNH2NR1I2SCN5ACYP3A4PTGDR2
SCHEMBL3706595 0.84 NR1I2 (0.40) KCNH2NR1I2SCN5ACYP3A4CYP2C9
SCHEMBL2637665 0.83 NR1I2 (0.64) KCNH2NR1I2SCN5ACYP3A4CYP2C9
SCHEMBL14253915 0.76 NR1I2 (0.63) KCNH2NR1I2SCN5ACYP3A4CYP2C9
SCHEMBL50642 0.73 KCNH2 (0.61) KCNH2NR1I2SCN5ACYP3A4CYP2C9
SCHEMBL2637667 0.73 NR1I2 (0.47) KCNH2NR1I2SCN5ACYP3A4CYP2C9
SCHEMBL3857114 0.73 NR1I2 (0.40) KCNH2NR1I2SCN5ACYP3A4CYP2C9
SCHEMBL3871757 0.73 KMT2A (0.37) SCN5ACYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL14081119 0.72 NR1I2 (0.68) KCNH2NR1I2SCN5ACYP3A4CYP2C9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010099159-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-02 WO disclosed
EP-2215095-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-08-11 EP disclosed
EP-2209789-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2010-07-28 EP disclosed
EP-2209784-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-07-28 EP disclosed
EP-2121697-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2009-11-25 EP disclosed
EP-2121696-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Brystol-Myers Squibb Company (US) 2009-11-25 EP disclosed
EP-2118109-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2009-11-18 EP disclosed
EP-2118108-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2009-11-18 EP disclosed
EP-2114947-A1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Brystol-Myers Squibb Company (US) 2009-11-11 EP disclosed
EP-2099804-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Brystol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008112863-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2008112841-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2008112848-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2008112473-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-18 WO disclosed
WO-2008097796-A1 INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-14 WO disclosed
WO-2008089027-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-24 WO disclosed
WO-2007140200-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007140109-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007136982-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 WO disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed