SCHEMBL12428564

SCHEMBL12428564

CCc1ccc2c(c1)N(CCN1CCC[C@@H](CCOC)C1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 2/20 0.35
KCNH2 Q12809 6/20 0.34
CYP3A4 P08684 3/20 0.34
SCN5A Q14524 2/20 0.34
NR1I2 O75469 6/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR3 P51677 1/20 0.33
BCHE P06276 1/20 0.33
PPM1D O15297 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 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
SCHEMBL10283272 0.94 PRKCA (0.41) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL803712 0.92 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL10283283 0.92 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL12428079 0.92 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL12428189 0.92 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL12428482 0.91 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL12428078 0.91 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL804577 0.91 NR1I2 (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL12428480 0.91 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4
SCHEMBL10283285 0.91 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2CYP3A4

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