SCHEMBL5359348

SCHEMBL5359348

NC(=O)C1CCN(C(=O)C(N)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.57
DPP7 Q9UHL4 3/20 0.54
FAP Q12884 1/20 0.54
DPP8 Q6V1X1 1/20 0.54
DPP9 Q86TI2 1/20 0.54
AKT1 P31749 12/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
AKT2 P31751 1/20 0.50
AKT1S1 Q96B36 1/20 0.50
AKT3 Q9Y243 1/20 0.50
POLB P06746 1/20 0.50
MC4R P32245 1/20 0.49
MC3R P41968 1/20 0.49
MC1R Q01726 1/20 0.49

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
SCHEMBL5366185 0.86 POLB (0.64) DPP4DPP7FAPDPP8DPP9
SCHEMBL6583576 0.86 POLB (0.64) DPP4DPP7FAPDPP8DPP9
Hydrochloric Acid SCHEMBL6166049 0.85 DPP7 (0.67) DPP4DPP7FAPDPP8DPP9
Hydrochloric Acid SCHEMBL6166042 0.85 DPP7 (0.67) DPP4DPP7FAPDPP8DPP9
SCHEMBL5359350 0.84 DPP4 (0.57) DPP4DPP7FAPDPP8DPP9
SCHEMBL4902903 0.80 AKT1 (0.60) DPP4DPP7AKT1AKT2AKT1S1
SCHEMBL5059867 0.80 AKT1 (0.60) DPP4AKT1AKT2AKT1S1AKT3
SCHEMBL4773399 0.78 DPP4 (0.51) DPP4DPP7FAPDPP8DPP9
SCHEMBL21037177 0.77 AKT1 (0.48) DPP4DPP7FAPDPP8DPP9
SCHEMBL5368002 0.76 GAA (0.69)

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-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed