SCHEMBL10885174

SCHEMBL10885174

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 11/20 0.46
DPP8 Q6V1X1 7/20 0.46
DPP9 Q86TI2 5/20 0.46
DPP4 P27487 5/20 0.38
FAP Q12884 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 1/20 0.36
PLAU P00749 2/20 0.36
PLAUR Q03405 2/20 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
SCHEMBL10889358 0.88 DPP7 (0.43) DPP7DPP8DPP9DPP4FAP
SCHEMBL11225014 0.79 DPP7 (0.52) DPP7DPP8DPP9DPP4FAP
Water SCHEMBL3369508 0.74 DPP7 (0.42) DPP7DPP8DPP9DPP4FAP
SCHEMBL3067553 0.74 HPGD (0.43)
SCHEMBL3277465 0.74 DPP7 (0.45) DPP7DPP8DPP9DPP4FAP
SCHEMBL5552493 0.73 DPP8 (0.43) DPP7DPP8DPP9DPP4FAP
SCHEMBL649164 0.73 DPP8 (0.43) DPP7DPP8DPP9DPP4FAP
Methanesulfonamide SCHEMBL11097510 0.73 DPP8 (0.39) DPP7DPP8DPP9MMP2PLAU
SCHEMBL11197546 0.73 DPP7 (0.44) DPP7DPP8DPP9DPP4FAP
SCHEMBL10883512 0.69 DPP7 (0.39) DPP7DPP8DPP9DPP4MMP2

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-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 EP disclosed