SCHEMBL12428448

SCHEMBL12428448

CCC1CCCN(CCN2CCn3c(c(C4CCCC4)c4ccc(C(=O)O)cc43)-c3ccc(Cl)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
KDM2B Q8NHM5 3/20 0.35
MCL1 Q07820 2/20 0.34
SCN9A Q15858 1/20 0.34
KCNH2 Q12809 3/20 0.33
NR1I2 O75469 1/20 0.33
LTA4H P09960 1/20 0.33
DPP4 P27487 2/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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 0.99 PRKCA (0.42) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12428150 0.99 PRKCA (0.42) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12428144 0.99 PRKCA (0.42) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12428410 0.95 PRKCA (0.43) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12428329 0.95 PRKCA (0.41) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12427977 0.93 PRKCA (0.41) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12428449 0.93 PRKCA (0.40) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12428040 0.92 PRKCA (0.41) PRKCAMMP12KDM2BMCL1SCN9A
SCHEMBL12428452 0.91 PRKCA (0.40) PRKCAMMP12KDM2BSCN9AKCNH2
SCHEMBL10283578 0.91 PRKCA (0.43) PRKCAMMP12KDM2BSCN9AKCNH2

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