SCHEMBL4691003

SCHEMBL4691003

N#Cc1cccc(CC(N)CCc2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.43
DPP4 P27487 4/20 0.43
FOLH1 Q04609 1/20 0.41
DPP9 Q86TI2 3/20 0.41
AKT1 P31749 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
CYP19A1 P11511 3/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GLA P06280 1/20 0.39
FAP Q12884 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NOS1 P29475 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL5721115 0.95 DPP4 (0.41) DPP7DPP4FOLH1DPP9AKT1
SCHEMBL30762197 0.76 DPP7 (0.50) DPP7DPP4FOLH1DPP9AKT1
SCHEMBL18930742 0.75 DPP7 (0.52) DPP7DPP4FOLH1DPP9AKT1
SCHEMBL14860190 0.75 DPP7 (0.52) DPP7DPP4FOLH1DPP9AKT1
Hydrochloric Acid SCHEMBL21144735 0.74 DPP7 (0.51) DPP7DPP4FOLH1DPP9AKT1
Hydrochloric Acid SCHEMBL21144734 0.74 DPP7 (0.51) DPP7DPP4FOLH1DPP9AKT1
SCHEMBL5262783 0.73 GLA (0.57) DPP7DPP4FOLH1DPP9GLA
SCHEMBL4496028 0.73 GLA (0.57) DPP7DPP4FOLH1DPP9GLA
SCHEMBL12488285 0.72 MMP12 (0.46) DPP7DPP4FOLH1DPP9MMP12
SCHEMBL4420077 0.72 AKT1 (0.40) DPP7DPP4FOLH1DPP9AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed