SCHEMBL12428525

SCHEMBL12428525

CCCN1CCCC(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(C)cc32)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
KDM2B Q8NHM5 6/20 0.35
SCN9A Q15858 1/20 0.34
NR1I2 O75469 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
SCHEMBL10283575 0.95 PRKCA (0.42) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL803754 0.94 PRKCA (0.42) PRKCAMMP12DRD3DRD2DRD1
SCHEMBL10283613 0.92 PRKCA (0.40) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12427926 0.92 PRKCA (0.41) PRKCAMMP12DRD3KDM2BSCN9A
SCHEMBL12427983 0.92 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2
SCHEMBL12429375 0.92 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2
SCHEMBL12429151 0.91 PRKCA (0.42) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL12428553 0.91 PRKCA (0.43) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL10283578 0.91 PRKCA (0.43) PRKCAMMP12KDM2BSCN9ANR1I2
SCHEMBL10283736 0.91 PRKCA (0.43) PRKCAMMP12KDM2BSCN9ANR1I2

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