SCHEMBL12427653

SCHEMBL12427653

CCOC(=O)N1CCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40
TSHR P16473 3/20 0.39
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN9A Q15858 1/20 0.36
KMT2A Q03164 4/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL12427668 0.93 PRKCA (0.45) PRKCAMMP12NR1I2SCN9A
SCHEMBL12427933 0.91 PRKCA (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL10283270 0.91 PRKCA (0.44) PRKCAMMP12HRH2HRH1NR1I2
SCHEMBL12427652 0.91 PRKCA (0.44) PRKCAMMP12NR1I2SCN9AKMT2A
SCHEMBL12427917 0.91 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AKMT2A
SCHEMBL803750 0.91 PRKCA (0.47) PRKCAMMP12NR1I2SCN9A
SCHEMBL804194 0.90 PRKCA (0.48) PRKCAMMP12NR1I2ALDH1A1SCN9A
SCHEMBL10283261 0.90 PRKCA (0.45) PRKCAMMP12TSHRNR1I2ALDH1A1
SCHEMBL12427597 0.90 PRKCA (0.49) PRKCAMMP12NR1I2ALDH1A1LMNA
SCHEMBL12428000 0.89 PRKCA (0.47) PRKCAMMP12HRH1NR1I2ALDH1A1

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