SCHEMBL12428477

SCHEMBL12428477

CC(C)N1CCCC(CCCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(Cl)cc32)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
SCN9A Q15858 1/20 0.34
CYP2D6 P10635 3/20 0.33
GHSR Q92847 3/20 0.33
KCNH2 Q12809 5/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MCL1 Q07820 2/20 0.32
CYP3A4 P08684 1/20 0.32
NR1I2 O75469 3/20 0.32
CCR2 P41597 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL12427924 0.96 PRKCA (0.42) PRKCAMMP12SCN9ACYP2D6GHSR
SCHEMBL12428527 0.90 PRKCA (0.41) PRKCAMMP12SCN9ACYP2D6KCNH2
SCHEMBL12428431 0.89 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2MCL1
SCHEMBL12428529 0.89 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2PDE4A
SCHEMBL12427942 0.88 PRKCA (0.41) PRKCAMMP12SCN9ACYP2D6KCNH2
SCHEMBL12427904 0.88 PRKCA (0.44) PRKCAMMP12SCN9AKCNH2PDE4A
SCHEMBL12427984 0.88 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428402 0.88 PRKCA (0.42) PRKCAMMP12SCN9ACYP2D6KCNH2
SCHEMBL12427974 0.87 PRKCA (0.41) PRKCAMMP12SCN9AKCNH2MCL1
SCHEMBL12428303 0.86 PRKCA (0.40) 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