SCHEMBL13623181

SCHEMBL13623181

NCC(=O)N1C[C@H](Nc2ccccc2)CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.44
ACE P12821 5/20 0.39
SIGMAR1 Q99720 1/20 0.36
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL2402151 1.00 AGTR2 (0.44) AGTR2ACESIGMAR1DPP4DPP8
SCHEMBL2400310 1.00 AGTR2 (0.44) AGTR2ACESIGMAR1DPP4DPP8
SCHEMBL4975798 0.87 ALDH1A1 (0.39) AGTR2
SCHEMBL2402496 0.82 AGTR2 (0.52) AGTR2ACEDPP4DPP8DPP7
Danegaptide SCHEMBL20547963 0.82 MMP2 (0.56) AGTR2ACEMMP2
Danegaptide SCHEMBL25694359 0.82 MMP2 (0.56) AGTR2ACEMMP2
Danegaptide SCHEMBL2399763 0.82 MMP2 (0.56) AGTR2ACEMMP2
SCHEMBL2398925 0.82 AGTR2 (0.52) AGTR2ACEDPP4DPP8DPP7
Danegaptide SCHEMBL2399760 0.82 MMP2 (0.56) AGTR2ACEMMP2
Danegaptide SCHEMBL29094836 0.82 MMP2 (0.56) AGTR2ACEMMP2

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-7622496-B2 antiarrhythmia agents; 1-(2-Amino-acetyl)-4-(benzoylamino)-pyrrolidine-2-carboxylic acid; desirable bioavailability properties ZEALAND PHARMA A/S (DK) 2009-11-24 US disclosed