SCHEMBL7354079

SCHEMBL7354079

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
FAP Q12884 1/20 0.47
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
BIRC2 Q13490 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CTSD P07339 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 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
SCHEMBL7354071 1.00 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL7348800 0.96 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL2491150 0.96 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL7321497 0.94 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL7324906 0.94 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL11528736 0.86 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL29466169 0.85 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL11533206 0.84 DPP4 (0.43) DPP4DPP8DPP9DPP7FAP
SCHEMBL24218817 0.84 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL13086357 0.82 CA12 (0.48) DPP4CA12CA14BIRC2TSHR

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-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP claimed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP claimed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO claimed
WO-1990005141-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUKOCYTIC ELASTASE AND COLLAGENASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-17 WO disclosed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP disclosed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP disclosed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO disclosed