SCHEMBL28644177

SCHEMBL28644177

C[C@@H](O)[C@H](N)C(=O)N1CSC[C@H]1C(=O)N1CSC[C@H]1C(=O)NC(=O)[C@@H](N)CO

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ ACE P12821 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ PREP P48147 1/20 0.32

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
SCHEMBL28310969 0.91 ACE (0.37) DPP4DPP7ACEDPP8
SCHEMBL28310967 0.90 DPP4 (0.40) DPP4DPP7ACEDPP8PREP
SCHEMBL28311808 0.82 CAPN1 (0.39) DPP4DPP7ACEDPP8PREP
SCHEMBL28646494 0.80 DPP4 (0.38) DPP4DPP7ACEDPP8PREP
SCHEMBL28311914 0.80 DPP4 (0.44) DPP4DPP7DPP8PREP
SCHEMBL28633172 0.78 CAPN1 (0.42) DPP4DPP7ACEDPP8
SCHEMBL28639719 0.73 CAPN1 (0.53) DPP4DPP7PREP
SCHEMBL28630988 0.73 CAPN1 (0.53) DPP4DPP7PREP
SCHEMBL28631118 0.71 CAPN1 (0.49) DPP4DPP7DPP8PREP
SCHEMBL28633246 0.71 CAPN1 (0.49) DPP4DPP7DPP8PREP

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
CN-113480596-A Compound for regulating NMDA receptor activity, pharmaceutical composition and application thereof 北京广为医药科技有限公司 2021-10-08 — — CN claimed
CN-110003309-B Compounds that modulate NMDA receptor activity, pharmaceutical compositions and uses thereof 北京广为医药科技有限公司 2021-09-10 — — CN claimed
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