SCHEMBL12428527

SCHEMBL12428527

CCN1CCCC(CCCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(Cl)cc32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CNR1 P21554 2/20 0.34
SCN9A Q15858 1/20 0.34
CYP3A4 P08684 2/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
NR1I2 O75469 4/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MCL1 Q07820 2/20 0.32
NLRP3 Q96P20 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
LTA4H P09960 1/20 0.32
DPP4 P27487 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTR2C P28335 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL12427972 0.96 PRKCA (0.42) PRKCAMMP12CNR1SCN9ACYP3A4
SCHEMBL12427926 0.91 PRKCA (0.41) PRKCAMMP12SCN9ACYP3A4NR1I2
SCHEMBL12428329 0.91 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2MCL1
SCHEMBL12427977 0.91 PRKCA (0.41) PRKCAMMP12CNR1SCN9ACYP3A4
SCHEMBL12428477 0.90 PRKCA (0.41) PRKCAMMP12SCN9ACYP3A4KCNH2
SCHEMBL12428529 0.89 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428150 0.89 PRKCA (0.42) PRKCAMMP12CNR1SCN9ACYP3A4
SCHEMBL12427956 0.89 PRKCA (0.42) PRKCAMMP12CNR1SCN9ACYP3A4
SCHEMBL12428144 0.89 PRKCA (0.42) PRKCAMMP12CNR1SCN9ACYP3A4
SCHEMBL12427974 0.89 PRKCA (0.41) PRKCAMMP12SCN9ACYP3A4KCNH2

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