SCHEMBL12428207

SCHEMBL12428207

CCCc1ccc2c(c1)N(CCC1CCCN(C(C)C)C1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 3/20 0.35
NR1I2 O75469 5/20 0.33
KCNH2 Q12809 3/20 0.33
DPP4 P27487 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MPL P40238 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
SCHEMBL12428293 0.94 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428402 0.90 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12427984 0.90 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12427924 0.89 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283247 0.88 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428184 0.88 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428426 0.86 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428253 0.86 PRKCA (0.41) PRKCAMMP12NR1I2KCNH2
SCHEMBL803917 0.86 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428477 0.85 PRKCA (0.41) 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