SCHEMBL12428400

SCHEMBL12428400

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCOCC1)c1cc(F)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 3/20 0.40
NR1I2 O75469 5/20 0.38
CNR2 P34972 3/20 0.36
CCR3 P51677 4/20 0.35
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
PARP1 P09874 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
SCHEMBL12427674 0.98 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL12427687 0.94 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL10283573 0.94 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL803863 0.91 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL12428396 0.91 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL12427615 0.90 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL12427737 0.89 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CCR3
SCHEMBL12429265 0.89 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL12429168 0.89 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL12427629 0.88 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CNR2

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