SCHEMBL12429014

SCHEMBL12429014

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c-3cccc1N(CCO)CCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
SCN9A Q15858 4/20 0.37
NR1I2 O75469 2/20 0.36
CASR P41180 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
KMO O15229 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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 SCHEMBL771911 0.99 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2CASR
SCHEMBL771459 0.97 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2CASR
Hydrochloric Acid SCHEMBL773592 0.96 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CASR
Hydrochloric Acid SCHEMBL771881 0.96 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CASR
SCHEMBL803733 0.93 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CASR
Hydrochloric Acid SCHEMBL772835 0.92 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP2C9
SCHEMBL803866 0.92 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CASR
SCHEMBL12429508 0.92 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2CASR
SCHEMBL12429072 0.92 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CASR
SCHEMBL773492 0.92 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2CASR

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