SCHEMBL12428586

SCHEMBL12428586

CN(C)CC(=O)Nc1ccc(N2CCOCC2)c(COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
NR1I2 O75469 1/20 0.37
SCN9A Q15858 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
LMNA P02545 1/20 0.33

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 SCHEMBL771474 0.99 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL10283206 0.92 PRKCA (0.41) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL12428593 0.91 ALDH1A1 (0.40) PRKCAMMP12SCN9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL773981 0.91 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AALDH1A1
Hydrochloric Acid SCHEMBL771585 0.91 ALDH1A1 (0.40) PRKCAMMP12SCN9AALDH1A1MAPT
SCHEMBL12428599 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL12428587 0.88 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AALDH1A1
Hydrochloric Acid SCHEMBL771841 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL771450 0.88 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL10283496 0.86 PRKCA (0.43) 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