SCHEMBL11197546

SCHEMBL11197546

C[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](N)CCCCN

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 13/20 0.44
DPP8 Q6V1X1 7/20 0.44
DPP4 P27487 6/20 0.44
DPP9 Q86TI2 5/20 0.44
FAP Q12884 1/20 0.43
GSR P00390 1/20 0.42
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ARG1 P05089 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
SCHEMBL3277465 0.82 DPP7 (0.45) DPP7DPP8DPP4DPP9FAP
SCHEMBL10781805 0.78 DPP7 (0.39) DPP7DPP8DPP4DPP9FAP
SCHEMBL7757725 0.78 DPP7 (0.41) DPP7DPP8DPP4DPP9FAP
SCHEMBL7758752 0.77 DPP7 (0.40) DPP7DPP8DPP4DPP9FAP
SCHEMBL7318606 0.77 DPP7 (0.43) DPP7DPP8DPP4DPP9FAP
SCHEMBL10589377 0.77 DPP7 (0.40) DPP7DPP8DPP4DPP9FAP
SCHEMBL5552483 0.76 DPP7 (0.42) DPP7DPP8DPP4DPP9FAP
SCHEMBL7760131 0.76 ITGB3 (0.43) DPP7DPP8DPP4DPP9FAP
SCHEMBL8396582 0.76 DPP4 (0.38) DPP4
SCHEMBL11225014 0.75 DPP7 (0.52) DPP7DPP8DPP4DPP9FAP

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
EP-0081094-A1 Substituted omega-amino-carboxymethyldipeptide antihypertensive agents MERCK & CO. INC. (US) 1983-06-15 EP claimed