SCHEMBL12427581

SCHEMBL12427581

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCc1ccccc1)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
SCN9A Q15858 2/20 0.40
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
NR1I2 O75469 2/20 0.37
PARK7 Q99497 1/20 0.37
FABP4 P15090 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CCKBR P32239 2/20 0.35
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD4 P21917 1/20 0.34
KMO O15229 1/20 0.34

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
SCHEMBL10283267 0.94 PRKCA (0.46) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL12427778 0.92 PRKCA (0.44) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL804080 0.91 PRKCA (0.50) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL12427682 0.89 PRKCA (0.49) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL12427636 0.89 PRKCA (0.49) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL803839 0.89 PRKCA (0.49) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL12427734 0.89 PRKCA (0.49) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL803874 0.89 PRKCA (0.49) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL803965 0.89 PRKCA (0.49) PRKCAMMP12SCN9APRKAG1PRKAA2
SCHEMBL804124 0.89 PRKCA (0.49) PRKCAMMP12SCN9APRKAG1PRKAA2

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