SCHEMBL11225014

SCHEMBL11225014

NCCCC[C@H](N)C(=O)N1CCC[C@]1(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 12/20 0.52
DPP8 Q6V1X1 8/20 0.52
DPP9 Q86TI2 7/20 0.52
PLAU P00749 2/20 0.39
PLAUR Q03405 2/20 0.39
DPP4 P27487 4/20 0.39
FAP Q12884 1/20 0.39
MMP2 P08253 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
SCHEMBL10885174 0.79 DPP7 (0.46) DPP7DPP8DPP9PLAUPLAUR
SCHEMBL3277465 0.76 DPP7 (0.45) DPP7DPP8DPP9DPP4FAP
SCHEMBL5552493 0.76 DPP8 (0.43) DPP7DPP8DPP9PLAUPLAUR
SCHEMBL649164 0.76 DPP8 (0.43) DPP7DPP8DPP9PLAUPLAUR
SCHEMBL10889358 0.76 DPP7 (0.43) DPP7DPP8DPP9PLAUPLAUR
SCHEMBL11197546 0.75 DPP7 (0.44) DPP7DPP8DPP9DPP4FAP
Water SCHEMBL3369508 0.75 DPP7 (0.42) DPP7DPP8DPP9PLAUPLAUR
SCHEMBL7759076 0.72 OPRK1 (0.41) DPP7DPP8DPP9DPP4MMP2
SCHEMBL10883512 0.72 DPP7 (0.39) DPP7DPP8DPP9DPP4MMP2
SCHEMBL7758752 0.71 DPP7 (0.40) DPP7DPP8DPP9DPP4FAP

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-0079522-A1 N-Carboxymethyl(amidino)lysyl-proline antihypertensive agents MERCK & CO. INC. (US) 1983-05-25 EP disclosed