SCHEMBL12428189

SCHEMBL12428189

CCc1ccc2c(c1)N(CCN1CCCC(CC)C1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 3/20 0.36
NR1I2 O75469 7/20 0.34
CCR3 P51677 1/20 0.33
KCNH2 Q12809 3/20 0.32
CYP3A4 P08684 2/20 0.32
SCN5A Q14524 1/20 0.32
ESR1 P03372 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPM1D O15297 1/20 0.32
DPP4 P27487 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
SCHEMBL803917 0.94 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283272 0.94 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL10283578 0.92 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428156 0.92 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL12428553 0.92 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283736 0.92 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428564 0.92 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL12428152 0.92 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL12428061 0.92 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL12428238 0.92 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CCR3

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