SCHEMBL12428599

SCHEMBL12428599

CN(C)CC(=O)N(C)c1ccc(N2CCOCC2)c(COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
NR1I2 O75469 4/20 0.37
SCN9A Q15858 2/20 0.35
KCNH2 Q12809 2/20 0.31
CYP3A4 P08684 1/20 0.31
SCN5A Q14524 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
Hydrochloric Acid SCHEMBL771841 0.99 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428594 0.93 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL10283496 0.93 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AKCNH2
Hydrochloric Acid SCHEMBL772848 0.93 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AKCNH2
Hydrochloric Acid SCHEMBL773221 0.93 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428590 0.89 PRKCA (0.42) PRKCAMMP12NR1I2SCN9AKCNH2
Hydrochloric Acid SCHEMBL772246 0.89 PRKCA (0.42) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428586 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL771474 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL10283208 0.86 PRKCA (0.41) PRKCAMMP12NR1I2SCN9A

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