SCHEMBL3785533

SCHEMBL3785533

CCN1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 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 SCHEMBL773020 0.99 PRKCA (0.39) PRKCAMMP12CYP3A4KCNH2SCN5A
SCHEMBL804172 0.93 PRKCA (0.39) PRKCAMMP12SCN9ANPC1HPGD
SCHEMBL12428600 0.92 PRKCA (0.41) PRKCAMMP12CYP3A4KCNH2SCN5A
Hydrochloric Acid SCHEMBL772229 0.92 PRKCA (0.39) PRKCAMMP12SCN9ANPC1HPGD
Hydrochloric Acid SCHEMBL774600 0.92 PRKCA (0.41) PRKCAMMP12CYP3A4KCNH2SCN5A
SCHEMBL10283203 0.92 PRKCA (0.38) PRKCAMMP12KCNH2SCN9ANPC1
Hydrochloric Acid SCHEMBL772348 0.91 PRKCA (0.38) PRKCAMMP12SCN9A
SCHEMBL12428580 0.88 PRKCA (0.39) PRKCAMMP12SCN9ANPC1HPGD
Hydrochloric Acid SCHEMBL773040 0.88 PRKCA (0.38) PRKCAMMP12SCN9ANPC1HPGD
SCHEMBL12428661 0.88 SCN9A (0.34) PRKCAMMP12SCN9AHPGD

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 5 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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed