SCHEMBL12428276

SCHEMBL12428276

COCC1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(C(C)C)cc32)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
KCNH2 Q12809 6/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 1/20 0.34
SCN9A Q15858 3/20 0.34
NR1I2 O75469 5/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 3/20 0.33
SCN5A Q14524 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP4 P27487 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL12428158 0.93 PRKCA (0.42) PRKCAMMP12KCNH2BCHEACHE
SCHEMBL12428544 0.91 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL10283551 0.91 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428047 0.91 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12429164 0.91 PRKCA (0.41) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12429167 0.91 PRKCA (0.41) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428040 0.91 PRKCA (0.41) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL10283272 0.90 PRKCA (0.41) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL12428449 0.90 PRKCA (0.40) PRKCAMMP12KCNH2SCN9ANR1I2
SCHEMBL10283219 0.90 PRKCA (0.42) PRKCAMMP12KCNH2SCN9ANR1I2

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