SCHEMBL12429239

SCHEMBL12429239

COCC[C@@H]1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3cc(F)c(F)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
NR1I2 O75469 8/20 0.35
SCN9A Q15858 2/20 0.35
HRH2 P25021 1/20 0.33
KCNH2 Q12809 6/20 0.33
BCHE P06276 1/20 0.32
CYP3A4 P08684 3/20 0.32
SCN5A Q14524 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR3 P51677 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
SCHEMBL12429190 0.94 PRKCA (0.42) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL804577 0.92 NR1I2 (0.40) PRKCAMMP12NR1I2SCN9AHRH2
SCHEMBL10283283 0.90 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428079 0.90 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL803712 0.90 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428076 0.90 PRKCA (0.44) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL10283285 0.90 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428480 0.90 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428482 0.90 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL12428078 0.90 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AKCNH2

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 3 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed