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SCHEMBL10155288

SCHEMBL10155288

COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2CC2(C(=O)N3CC45CCC4(CN(CC(F)(F)F)C5)C3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.49
▸ NR1I2 O75469 6/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ SCN5A Q14524 3/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SCN9A Q15858 7/20 0.39

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
SCHEMBL853261 0.95 NR1I2 (0.47) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL851576 0.91 KCNH2 (0.48) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL10155831 0.91 NR1I2 (0.53) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL10155342 0.90 NR1I2 (0.49) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL14900150 0.90 NR1I2 (0.46) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL10155278 0.89 NR1I2 (0.50) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL13189063 0.88 NR1I2 (0.48) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL10155336 0.88 NR1I2 (0.50) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL851216 0.88 NR1I2 (0.49) KCNH2NR1I2CYP3A4SCN5ACYP2C9
SCHEMBL851595 0.87 KCNH2 (0.52) KCNH2NR1I2CYP3A4SCN5ACYP2C9

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