SCHEMBL12428600

SCHEMBL12428600

CN(C)C(=O)CN1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CYP3A4 P08684 2/20 0.31
KCNH2 Q12809 2/20 0.31
SCN5A Q14524 1/20 0.31
NR1I2 O75469 3/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SCN9A Q15858 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 SCHEMBL774600 0.99 PRKCA (0.41) PRKCAMMP12CYP3A4KCNH2SCN5A
SCHEMBL3785533 0.92 PRKCA (0.39) PRKCAMMP12CYP3A4KCNH2SCN5A
Hydrochloric Acid SCHEMBL773020 0.92 PRKCA (0.39) PRKCAMMP12CYP3A4KCNH2SCN5A
SCHEMBL804172 0.90 PRKCA (0.39) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL772229 0.89 PRKCA (0.39) PRKCAMMP12NR1I2SCN9A
SCHEMBL10283203 0.89 PRKCA (0.38) PRKCAMMP12KCNH2NR1I2SCN9A
Hydrochloric Acid SCHEMBL772348 0.88 PRKCA (0.38) PRKCAMMP12NR1I2SCN9A
SCHEMBL12428580 0.86 PRKCA (0.39) PRKCAMMP12NR1I2SCN9A
SCHEMBL12428661 0.85 SCN9A (0.34) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL773040 0.85 PRKCA (0.38) 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 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