SCHEMBL3137758

SCHEMBL3137758

CC(C)C(N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP3 Q9NY33 1/20 0.42
ELANE P08246 7/20 0.40
SLC6A2 P23975 1/20 0.39
XIAP P98170 1/20 0.38
MLX Q9UH92 1/20 0.38
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CPA1 P15085 1/20 0.37
CPA2 P48052 1/20 0.37
CPA4 Q9UI42 1/20 0.37
DPP7 Q9UHL4 2/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 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
SCHEMBL13299859 1.00 DPP4 (0.42) DPP4DPP3ELANESLC6A2XIAP
Hydrochloric Acid SCHEMBL3257601 0.99 DPP4 (0.42) DPP4DPP3ELANESLC6A2XIAP
Hydrochloric Acid SCHEMBL3257603 0.99 DPP4 (0.42) DPP4DPP3ELANESLC6A2XIAP
Hydrochloric Acid SCHEMBL3257602 0.99 DPP4 (0.42) DPP4DPP3ELANESLC6A2XIAP
Trifluoroacetic Acid SCHEMBL3255535 0.95 ELANE (0.44) DPP4DPP3ELANEDPP7
Trifluoroacetic Acid SCHEMBL3255537 0.95 ELANE (0.44) DPP4DPP3ELANEDPP7
SCHEMBL3255539 0.85 ELANE (0.41) DPP4DPP3ELANE
SCHEMBL13299858 0.82 DPP4 (0.39) DPP4DPP3ELANEXIAPDPP7
SCHEMBL13299868 0.82 DPP4 (0.39) DPP4DPP3ELANEXIAPDPP7
SCHEMBL6860338 0.82 ELANE (0.51) DPP4DPP3ELANE

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
WO-2010065461-A1 TRI-PEPTIDE INHIBITORS OF SERINE ELASTASES ACCUTHERA, INC. (US) 2010-06-10 WO disclosed