SCHEMBL31463314

SCHEMBL31463314

NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.61
▸ DPP3 Q9NY33 5/20 0.54
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL15785203 0.89 DPP4 (0.56) DPP4DPP3
SCHEMBL19443228 0.89 CAPN1 (0.59) DPP4DPP3CAPN1CTSBOPRM1
SCHEMBL29842186 0.89 DPP3 (0.65) DPP4DPP3
SCHEMBL29498733 0.88 DPP3 (0.63) DPP4DPP3
SCHEMBL30052255 0.86 DPP3 (0.69) DPP4DPP3OPRM1OPRD1OPRK1
SCHEMBL31474499 0.86 DPP4 (0.61) DPP4DPP3OPRM1
SCHEMBL29963309 0.85 DPP3 (0.64) DPP4DPP3CAPN1CTSBOPRM1
SCHEMBL30310949 0.85 DPP4 (0.59) DPP4DPP3
SCHEMBL30051283 0.85 DPP3 (0.61) DPP4DPP3CAPN1CTSB
SCHEMBL30050936 0.84 DPP3 (0.69) DPP4DPP3OPRM1

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
CN-119751554-A Synthesis method of eptifibatide fragmentation peptide impurity 江苏诺泰澳赛诺生物制药股份有限公司 2025-04-04 — — CN disclosed
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