SCHEMBL11204101

SCHEMBL11204101

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
FAP Q12884 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
PREP P48147 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL3174178 0.80 GRIN2B (0.30) GRIN2BGRIN2C
SCHEMBL10509125 0.77
Hydrochloric Acid SCHEMBL7326363 0.76 DPP4 (0.36) DPP4FAPDPP7PREPDPP8
SCHEMBL15756820 0.76 DPP4 (0.38) DPP4FAPDPP7PREPDPP8
SCHEMBL11310350 0.75 DPP4 (0.35) DPP4FAPDPP7PREPDPP8
SCHEMBL6559378 0.74 DPP4 (0.37) DPP4FAPDPP7PREPDPP8
SCHEMBL2115152 0.73 ALDH1A1 (0.32)
SCHEMBL2033862 0.71 FFAR3 (0.30)
SCHEMBL2367455 0.70 GRIN2B (0.30) DPP4GRIN2BGRIN2C
SCHEMBL239129 0.70 GRIN2B (0.30) DPP4GRIN2BGRIN2C

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-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 EP disclosed