SCHEMBL12429233

SCHEMBL12429233

CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccc(OCc3ccccn3)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
CYP3A4 P08684 6/20 0.37
CYP2C19 P33261 5/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 1/20 0.37
NR1I2 O75469 5/20 0.36
CYP1A2 P05177 1/20 0.35
KCNH2 Q12809 2/20 0.34
MCHR1 Q99705 1/20 0.34
SCN5A Q14524 1/20 0.34
ALOX5 P09917 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PPARG P37231 2/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL12427922 0.91 PRKCA (0.51) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL792699 0.91 PRKCA (0.41) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12429409 0.90 PRKCA (0.46) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12429287 0.89 PRKCA (0.46) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12429404 0.89 PRKCA (0.48) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12429243 0.89 PRKCA (0.51) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12428350 0.88 PRKCA (0.46) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12428084 0.88 PRKCA (0.52) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12429424 0.87 PRKCA (0.46) PRKCAMMP12CYP3A4CYP2C19CYP2C9
SCHEMBL12429405 0.86 PRKCA (0.46) PRKCAMMP12CYP3A4CYP2C19CYP2C9

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