SCHEMBL3781734

SCHEMBL3781734

CN(C)CCN(C)c1cccc2c1OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.60
MMP12 P39900 1/20 0.60
NR1I2 O75469 5/20 0.41
SCN9A Q15858 3/20 0.37
KMO O15229 1/20 0.33
PIK3CA P42336 2/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 2/20 0.32
SCN5A Q14524 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
Hydrochloric Acid SCHEMBL773711 0.99 PRKCA (0.60) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL12429493 0.91 PRKCA (0.52) PRKCAMMP12NR1I2SCN9ACYP3A4
Hydrochloric Acid SCHEMBL772829 0.91 PRKCA (0.52) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL773242 0.90 PRKCA (0.55) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL772658 0.88 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL772119 0.87 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL12429463 0.86 PRKCA (0.56) PRKCAMMP12NR1I2SCN9ACYP3A4
Hydrochloric Acid SCHEMBL773108 0.86 PRKCA (0.56) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL771459 0.85 PRKCA (0.51) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL771869 0.85 PRKCA (0.56) PRKCAMMP12NR1I2SCN9AKMO

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