SCHEMBL12428167

SCHEMBL12428167

Cc1cc(COc2ccc3c(c2)N(CC[N+](C)(C)Cc2cc(C)on2)CCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)no1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
ROCK2 O75116 1/20 0.34
VDR P11473 4/20 0.33
NR1H4 Q96RI1 4/20 0.33
GLP1R P43220 1/20 0.33
KCNH2 Q12809 4/20 0.32
SCN9A Q15858 4/20 0.32
S1PR1 P21453 1/20 0.31
NR1I2 O75469 2/20 0.31
PTGER1 P34995 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 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
SCHEMBL12428255 0.89 PRKCA (0.40) PRKCAMMP12ROCK2VDRNR1H4
SCHEMBL12428350 0.89 PRKCA (0.46) PRKCAMMP12ROCK2VDRNR1H4
SCHEMBL772271 0.81 PRKCA (0.47) PRKCAMMP12ROCK2VDRNR1H4
SCHEMBL12429245 0.80 PRKCA (0.45) PRKCAMMP12VDRNR1H4
SCHEMBL12429409 0.78 PRKCA (0.46) PRKCAMMP12VDRNR1H4GLP1R
SCHEMBL12429233 0.78 PRKCA (0.48) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL804548 0.77 L3MBTL1 (0.42) PRKCAMMP12SCN9AALOX5APFEN1
SCHEMBL12427922 0.77 PRKCA (0.51) PRKCAMMP12NR1I2
SCHEMBL792699 0.77 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2
SCHEMBL12429287 0.77 PRKCA (0.46) PRKCAMMP12KCNH2SCN9ANR1I2

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 1 patent. 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