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SCHEMBL850707

SCHEMBL850707

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)CC(C)C)cc3n2CC2(C(=O)N3CC45COCC4(CN(C)C5)C3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.51
▸ NR1I2 O75469 7/20 0.40
▸ SCN9A Q15858 6/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL10155787 0.93 KCNH2 (0.48) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL13188157 0.90 KCNH2 (0.47) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL850768 0.89 KCNH2 (0.52) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL10155274 0.88 KCNH2 (0.46) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL10155286 0.88 KCNH2 (0.46) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL850764 0.87 KCNH2 (0.46) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL10155265 0.86 KCNH2 (0.54) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL850124 0.86 KCNH2 (0.45) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL851640 0.86 KCNH2 (0.45) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL851216 0.86 NR1I2 (0.49) 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
US-8143244-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed