SCHEMBL12428396

SCHEMBL12428396

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 2/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
KCNH2 Q12809 2/20 0.37
MAPT P10636 1/20 0.37
NR1I2 O75469 1/20 0.37
GLP1R P43220 1/20 0.36
CNR2 P34972 3/20 0.36
AVPR2 P30518 1/20 0.35
HTR1A P08908 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
PYGL P06737 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
SCHEMBL12427629 0.98 PRKCA (0.43) PRKCAMMP12SCN9AKMT2AALDH1A1
SCHEMBL12427981 0.96 PRKCA (0.41) PRKCAMMP12SCN9AKMT2AALDH1A1
SCHEMBL804085 0.94 PRKCA (0.43) PRKCAMMP12SCN9AKMT2AKCNH2
SCHEMBL12427893 0.94 PRKCA (0.43) PRKCAMMP12SCN9AKMT2AKCNH2
SCHEMBL12427889 0.94 PRKCA (0.43) PRKCAMMP12SCN9AKMT2AKCNH2
SCHEMBL12427986 0.94 PRKCA (0.43) PRKCAMMP12SCN9AKMT2AKCNH2
SCHEMBL12429142 0.94 PRKCA (0.43) PRKCAMMP12SCN9AKMT2AKCNH2
SCHEMBL12428400 0.91 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2CNR2
SCHEMBL803863 0.91 PRKCA (0.44) PRKCAMMP12SCN9AKMT2ANR1I2
SCHEMBL12427615 0.90 PRKCA (0.47) PRKCAMMP12SCN9AKMT2AALDH1A1

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