SCHEMBL3088693

SCHEMBL3088693

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN(C)C)Cc1sccc1-3

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 3/20 0.38
NR1I2 O75469 6/20 0.37
KCNH2 Q12809 6/20 0.36
CYP3A4 P08684 4/20 0.36
SCN5A Q14524 2/20 0.36
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CSNK2A1 P68400 1/20 0.34
RXRA P19793 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3079784 0.91 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3095670 0.87 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3087256 0.86 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3083720 0.84 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3083577 0.84 KCNH2 (0.45) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3084480 0.84 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3087641 0.83 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3093288 0.80 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL4200779 0.80 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL3095848 0.77 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed