SCHEMBL12428150

SCHEMBL12428150

CC[C@@H]1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(Cl)cc32)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
KDM2B Q8NHM5 2/20 0.35
SCN9A Q15858 1/20 0.35
NR1I2 O75469 3/20 0.34
MCL1 Q07820 2/20 0.33
KCNH2 Q12809 3/20 0.33
CNR1 P21554 1/20 0.33
LTA4H P09960 1/20 0.33
DPP4 P27487 1/20 0.32
CYP3A4 P08684 2/20 0.32
SCN5A Q14524 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL12427956 1.00 PRKCA (0.42) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428144 1.00 PRKCA (0.42) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428448 0.99 PRKCA (0.41) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428410 0.96 PRKCA (0.43) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428329 0.96 PRKCA (0.41) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12427977 0.94 PRKCA (0.41) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428040 0.93 PRKCA (0.41) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428452 0.92 PRKCA (0.40) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428449 0.92 PRKCA (0.40) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL10283578 0.92 PRKCA (0.43) PRKCAMMP12KDM2BSCN9ANR1I2

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