SCHEMBL5439760

SCHEMBL5439760

Cc1cnc(CN(C)C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
SCN9A Q15858 4/20 0.35
PTGER4 P35408 8/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 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
Trifluoroacetic Acid SCHEMBL5439416 0.96 PRKCA (0.40) PRKCAMMP12GABRA1GABRG2GABRB3
SCHEMBL5439417 0.89 GABRA1 (0.34) PRKCAMMP12GABRA1GABRG2GABRB3
SCHEMBL5402256 0.85 PRKCA (0.47) PRKCAMMP12
SCHEMBL2907228 0.82 PRKCA (0.50) PRKCAMMP12SCN9ACYP2D6
SCHEMBL5435258 0.79 PRKCA (0.43) PRKCAMMP12SCN9APTGER4
SCHEMBL5448428 0.79 PRKCA (0.47) PRKCAMMP12
SCHEMBL14448759 0.79 PRKCA (0.47) PRKCAMMP12SCN9ACYP3A4CYP2D6
SCHEMBL393462 0.79 PRKCA (0.45) PRKCAMMP12SCN9ACYP3A4CYP2D6
SCHEMBL5783672 0.78 PRKCA (0.46) PRKCAMMP12SCN9A
SCHEMBL5438990 0.77 PRKCA (0.45) PRKCAMMP12SCN9ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007516158-A 2007-06-21 JP claimed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP claimed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO claimed