SCHEMBL12427872

SCHEMBL12427872

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.51
MMP12 P39900 1/20 0.51
NR1I2 O75469 4/20 0.40
CCKBR P32239 4/20 0.38
SCN9A Q15858 2/20 0.36
KCNH2 Q12809 3/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAB1 Q9Y478 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
SCHEMBL804170 0.94 PRKCA (0.52) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427909 0.90 PRKCA (0.58) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427843 0.90 PRKCA (0.53) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427884 0.90 PRKCA (0.53) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL804300 0.90 PRKCA (0.59) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427797 0.90 PRKCA (0.51) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL10283727 0.88 PRKCA (0.51) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427928 0.88 PRKCA (0.59) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12428102 0.88 PRKCA (0.59) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427993 0.87 PRKCA (0.57) PRKCAMMP12NR1I2CCKBRSCN9A

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