SCHEMBL12427997

SCHEMBL12427997

CN(CCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21)C1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.54
MMP12 P39900 1/20 0.54
NR1I2 O75469 4/20 0.38
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 5/20 0.34
SLC6A4 P31645 4/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
CCKBR P32239 2/20 0.33
CYP2D6 P10635 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
SCHEMBL12428102 0.92 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL12427928 0.92 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL12427993 0.89 PRKCA (0.57) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12427994 0.88 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL12427996 0.88 PRKCA (0.57) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL804300 0.87 PRKCA (0.59) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12427988 0.87 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL12428105 0.87 PRKCA (0.58) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL12427989 0.86 PRKCA (0.54) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12427961 0.86 PRKCA (0.57) PRKCAMMP12NR1I2SCN9AKCNH2

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