SCHEMBL12428544

SCHEMBL12428544

COC[C@H]1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(C)cc32)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 3/20 0.34
KCNH2 Q12809 6/20 0.34
NR1I2 O75469 6/20 0.33
CYP3A4 P08684 3/20 0.33
SCN5A Q14524 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL10283551 1.00 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428047 1.00 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283219 0.98 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283232 0.94 SCN9A (0.36) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL804181 0.94 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL804202 0.94 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL803712 0.94 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283283 0.94 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428079 0.94 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428519 0.93 PRKCA (0.41) PRKCAMMP12SCN9AKCNH2NR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed