SCHEMBL4440457

SCHEMBL4440457

N[C@@H](Cc1c[nH]cn1)C(=O)N1CC(O)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ DPP4 P27487 8/20 0.36
▸ DPP8 Q6V1X1 7/20 0.36
▸ DPP9 Q86TI2 7/20 0.36
▸ ACE P12821 3/20 0.36
▸ PRSS1 P07477 2/20 0.35
▸ TMPRSS15 P98073 2/20 0.35
▸ MME P08473 1/20 0.33

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
SCHEMBL4440451 1.00 ATM (0.39) ATMDPP4DPP8DPP9ACE
SCHEMBL5734357 0.81 DPP4 (0.44) DPP4DPP8DPP9ACE
SCHEMBL4595209 0.81 DPP4 (0.44) DPP4DPP8DPP9ACE
SCHEMBL4595206 0.81 DPP4 (0.44) DPP4DPP8DPP9ACE
SCHEMBL6930338 0.80 ATM (0.43) ATMACEMME
SCHEMBL6930341 0.80 ATM (0.43) ATMACEMME
SCHEMBL5036645 0.78 TACR1 (0.40) DPP4DPP8DPP9
SCHEMBL10454953 0.77 TRHR (0.43) DPP4DPP8DPP9ACE
SCHEMBL7759091 0.77 DPP4 (0.42) DPP4DPP8DPP9ACE
SCHEMBL10454951 0.77 TRHR (0.43) DPP4DPP8DPP9ACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117536-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS Beiersdorf AG (DE) 2009-11-18 — — EP disclosed
WO-2008101693-A2 COSMETIC AND PHARMACEUTICAL APPLICATIONS OF N-ACYLATED AMINO ACIDS AND STRUCTURALLY RELATED COMPOUNDS BEIERSDORF AG (DE) 2008-08-28 — — WO disclosed
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