SCHEMBL12427615

SCHEMBL12427615

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCOCC1)c1ccccc1-3

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
NR1I2 O75469 1/20 0.42
SCN9A Q15858 2/20 0.39
CNR2 P34972 4/20 0.38
CNR1 P21554 3/20 0.38
AVPR2 P30518 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGER4 P35408 1/20 0.36
PARP1 P09874 1/20 0.35
EPHX2 P34913 1/20 0.35
CASR P41180 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
SCHEMBL12427569 0.97 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL10283562 0.93 PRKCA (0.47) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL803874 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL804124 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL12427734 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL803965 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL803839 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL12427636 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AALDH1A1
SCHEMBL12428396 0.90 PRKCA (0.42) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL12428400 0.90 PRKCA (0.42) PRKCAMMP12NR1I2SCN9ACNR2

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