SCHEMBL29377291

SCHEMBL29377291

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.51
▸ CTSD P07339 3/20 0.47
▸ DPP4 P27487 2/20 0.46
▸ DPP8 Q6V1X1 2/20 0.46
▸ DPP9 Q86TI2 2/20 0.46
▸ PTPN1 P18031 1/20 0.43
▸ BMP1 P13497 1/20 0.41

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
SCHEMBL29725305 0.96 DPP4 (0.49) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29777812 0.95 DPP4 (0.50) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30462198 0.92 DPP4 (0.52) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29777835 0.91 BACE1 (0.53) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30575173 0.91 DPP4 (0.43) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30479086 0.91 BACE1 (0.53) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29978904 0.91 DPP4 (0.49) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29777826 0.91 BACE1 (0.53) BACE1CTSDDPP4DPP8DPP9
SCHEMBL34464998 0.91 DPP4 (0.51) BACE1CTSDDPP4DPP8DPP9
SCHEMBL30712163 0.91 DPP4 (0.54) BACE1CTSDDPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 — — US claimed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN claimed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP claimed
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 — — US disclosed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN disclosed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP disclosed
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