SCHEMBL12428402

SCHEMBL12428402

CC(C)c1ccc2c(c1)N(CCC1CCCN(C(C)C)C1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 3/20 0.35
KCNH2 Q12809 4/20 0.34
NR1I2 O75469 6/20 0.33
DPP4 P27487 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR2 P41597 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 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
SCHEMBL12427984 0.93 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12427924 0.92 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428293 0.91 PRKCA (0.41) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283247 0.91 PRKCA (0.47) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428207 0.90 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428184 0.89 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428426 0.89 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428477 0.88 PRKCA (0.41) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428253 0.87 PRKCA (0.41) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL10283198 0.86 PRKCA (0.41) PRKCAMMP12SCN9AKCNH2NR1I2

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