SCHEMBL3086590

SCHEMBL3086590

CN(C)CCNC1COc2cc(Cl)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.64
MMP12 P39900 1/20 0.64
NR1I2 O75469 10/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
MCL1 Q07820 2/20 0.36
KCNH2 Q12809 5/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 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
SCHEMBL3088796 0.91 PRKCA (0.64) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL3093143 0.88 PRKCA (0.82) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL3089838 0.87 PRKCA (0.63) PRKCAMMP12NR1I2CYP3A4KCNH2
SCHEMBL3092955 0.87 PRKCA (0.76) PRKCAMMP12NR1I2CYP3A4CYP2C19
Trifluoroacetic Acid SCHEMBL1244063 0.87 PRKCA (0.73) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL3098597 0.84 PRKCA (0.55) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL3092202 0.84 PRKCA (0.67) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL3567697 0.81 PRKCA (0.60) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL3089205 0.80 PRKCA (0.66) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL4206539 0.79 PRKCA (0.66) PRKCAMMP12NR1I2CYP3A4CYP2C19

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 claimed