SCHEMBL6167009

SCHEMBL6167009

N#Cc1ccc(Cc2c[nH]c(Cc3cccc(C#N)c3)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.45
HRH3 Q9Y5N1 1/20 0.41
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEP1B Q16820 2/20 0.39
MEP1A Q16819 1/20 0.39
BRS3 P32247 1/20 0.39
FEN1 P39748 1/20 0.38
MPO P05164 1/20 0.38
LMNA P02545 1/20 0.38
TYMS P04818 1/20 0.37

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
SCHEMBL6165503 0.87 SNCA (0.44) SNCAHRH3FFAR1FFAR4MEP1B
SCHEMBL6167457 0.86 SNCA (0.37) SNCA
SCHEMBL6164368 0.85 SNCA (0.41) SNCAHRH3FFAR1FFAR4MEP1B
SCHEMBL6161520 0.85 SMN1; SMN2 (0.53) SNCALMNA
SCHEMBL6166657 0.83 MAPT (0.44) SNCAHRH3FFAR1FFAR4LMNA
SCHEMBL6203639 0.82 CACNA1F (0.43) SNCAHRH3LMNA
SCHEMBL6163170 0.82 SMN1; SMN2 (0.52) SNCALMNA
SCHEMBL6162430 0.81 SMN1; SMN2 (0.60) SNCALMNA
SCHEMBL6164246 0.81 MAPT (0.46) SNCALMNA
SCHEMBL6165873 0.81 MAPT (0.46) SNCALMNA

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed