SCHEMBL12429409

SCHEMBL12429409

Cc1cccc(COc2ccc3c(c2)N(CCN(C)C)CCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
PPARG P37231 4/20 0.37
GLP1R P43220 1/20 0.34
PDE10A Q9Y233 1/20 0.34
VDR P11473 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
NR1I2 O75469 4/20 0.34
KCNH2 Q12809 3/20 0.34
CYP3A4 P08684 3/20 0.34
SCN5A Q14524 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL12429233 0.90 PRKCA (0.48) PRKCAMMP12PPARGNR1I2KCNH2
SCHEMBL12429404 0.89 PRKCA (0.48) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL12427922 0.89 PRKCA (0.51) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL12428350 0.88 PRKCA (0.46) PRKCAMMP12GLP1RVDRNR1H4
SCHEMBL12429424 0.87 PRKCA (0.46) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL12429287 0.87 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL12429243 0.86 PRKCA (0.51) PRKCAMMP12PPARGNR1I2KCNH2
SCHEMBL12429425 0.86 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL12429395 0.86 PRKCA (0.47) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL12429405 0.86 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2CYP3A4

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