SCHEMBL12428673

SCHEMBL12428673

CC(=O)N(C)c1ccc(N2CCOCC2)c(COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)nc32)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
CFTR P13569 2/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
CTSS P25774 1/20 0.30
SCN9A Q15858 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
Hydrochloric Acid SCHEMBL772619 0.99 PRKCA (0.32) PRKCAMMP12CFTRHTR1ADRD2
SCHEMBL10283496 0.87 PRKCA (0.43) PRKCAMMP12SCN9A
SCHEMBL12428671 0.87 TRPM8 (0.34) CFTRSCN9ATRPM8
Hydrochloric Acid SCHEMBL771301 0.87 TRPM8 (0.34) CFTRSCN9ATRPM8
Hydrochloric Acid SCHEMBL773221 0.87 PRKCA (0.43) PRKCAMMP12SCN9A
SCHEMBL12428670 0.84 FFAR4 (0.34) CFTR
Hydrochloric Acid SCHEMBL772629 0.84 FFAR4 (0.34) CFTR
SCHEMBL12428599 0.81 PRKCA (0.43) PRKCAMMP12SCN9A
SCHEMBL12428594 0.80 PRKCA (0.43) PRKCAMMP12SCN9A
Hydrochloric Acid SCHEMBL771841 0.80 PRKCA (0.43) PRKCAMMP12SCN9A

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