SCHEMBL12427682

SCHEMBL12427682

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCCO)c1ccccc1-3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
PARP1 P09874 1/20 0.41
SCN9A Q15858 5/20 0.40
NR1I2 O75469 3/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CCKBR P32239 3/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KMO O15229 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL10283730 0.91 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL12427821 0.91 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL14253345 0.90 PRKCA (0.49) PRKCAMMP12PARP1SCN9ANR1I2
SCHEMBL12427728 0.90 PRKCA (0.58) PRKCAMMP12SCN9ANR1I2CSNK2A1
SCHEMBL804124 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CCKBR
SCHEMBL803839 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CCKBR
SCHEMBL803874 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CCKBR
SCHEMBL803965 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CCKBR
SCHEMBL12427636 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CCKBR
SCHEMBL12427734 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CCKBR

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