SCHEMBL12428102

SCHEMBL12428102

CN(CCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.59
MMP12 P39900 1/20 0.59
NR1I2 O75469 2/20 0.41
SCN9A Q15858 2/20 0.38
CCKBR P32239 7/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KMO O15229 1/20 0.33
CCKAR P32238 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
SCHEMBL12427928 1.00 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427993 0.96 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427994 0.94 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427988 0.94 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427996 0.93 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427989 0.92 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL804300 0.92 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427992 0.92 PRKCA (0.55) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427997 0.92 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12428105 0.92 PRKCA (0.58) PRKCAMMP12NR1I2SCN9ACCKBR

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