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SCHEMBL10185997

SCHEMBL10185997

COC1=CC2=C(c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n3CC(c3ccccc3S(=O)(=O)N3CCCC3)=C2)C(C)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.43
▸ NR1I2 O75469 6/20 0.42
▸ SCN9A Q15858 6/20 0.41
▸ CYP3A4 P08684 2/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL10186911 0.85 KCNH2 (0.52) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL13904171 0.77 KCNH2 (0.43) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL881035 0.76 KCNH2 (0.53) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL10186020 0.74 KCNH2 (0.52) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL10186892 0.74 NR1I2 (0.43) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL880944 0.73 KCNH2 (0.49) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL880943 0.73 KCNH2 (0.56) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL881037 0.72 KCNH2 (0.53) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL881020 0.72 KCNH2 (0.53) KCNH2NR1I2SCN9ACYP3A4SCN5A
SCHEMBL881008 0.72 KCNH2 (0.53) 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
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 — — EP disclosed