SCHEMBL12427802

SCHEMBL12427802

Cc1ccc2c(c1)-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1CCN2CCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
SCN9A Q15858 5/20 0.41
NR1I2 O75469 3/20 0.35
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER4 P35408 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1G O43497 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
SCHEMBL12427895 0.93 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2DRD2
SCHEMBL12427971 0.93 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2DRD2
SCHEMBL803833 0.93 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2DRD2
SCHEMBL804612 0.93 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2DRD2
SCHEMBL803814 0.90 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2
SCHEMBL12427775 0.90 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2DRD2
SCHEMBL10283202 0.89 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL803874 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL804124 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL803839 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2KDM4E

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