SCHEMBL12428162

SCHEMBL12428162

CCCc1ccc2c(c1)N(CCN1CCCCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
SCN9A Q15858 3/20 0.40
HRH1 P35367 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NR1I2 O75469 3/20 0.35
CCR3 P51677 1/20 0.34
MPL P40238 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL12428152 0.94 PRKCA (0.44) PRKCAMMP12SCN9AHRH1ADRA2B
SCHEMBL12428061 0.94 PRKCA (0.44) PRKCAMMP12SCN9AHRH1ADRA2B
SCHEMBL12428238 0.94 PRKCA (0.44) PRKCAMMP12SCN9AHRH1ADRA2B
SCHEMBL12428213 0.92 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL803917 0.92 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2MPL
SCHEMBL804229 0.91 PRKCA (0.46) PRKCAMMP12SCN9AHRH1NR1I2
SCHEMBL12428173 0.90 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12427971 0.88 PRKCA (0.45) PRKCAMMP12SCN9AHRH1NR1I2
SCHEMBL12427895 0.88 PRKCA (0.45) PRKCAMMP12SCN9AHRH1NR1I2
SCHEMBL803833 0.88 PRKCA (0.45) PRKCAMMP12SCN9AHRH1NR1I2

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