SCHEMBL12428158

SCHEMBL12428158

CCC1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(C(C)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
NR1I2 O75469 7/20 0.34
KCNH2 Q12809 4/20 0.33
DPP4 P27487 1/20 0.32
OPRK1 P41145 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP3A4 P08684 1/20 0.32
SCN5A Q14524 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 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
SCHEMBL12428276 0.93 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428157 0.91 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283578 0.91 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283736 0.91 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428553 0.91 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428151 0.91 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428060 0.91 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428233 0.91 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428150 0.90 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428189 0.90 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2

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