SCHEMBL31558763

SCHEMBL31558763

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.46
▸ CMA1 P23946 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ REN P00797 2/20 0.45
▸ OPRD1 P41143 4/20 0.44
▸ ANPEP P15144 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44

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
SCHEMBL20888357 0.82 REN (0.40) CMA1NTSR1RENOPRD1
SCHEMBL30407285 0.81 ACE (0.49) RENOPRD1
SCHEMBL5367473 0.81 PTPN1 (0.41) F2NTSR1RENOPRD1
SCHEMBL29506898 0.81 PTPN1 (0.54) OPRD1
SCHEMBL29629463 0.81 PTPN1 (0.54) OPRD1
SCHEMBL23138614 0.81 PTPN1 (0.54) OPRD1
SCHEMBL29706165 0.80 XIAP (0.46) CMA1
SCHEMBL5367479 0.80 F2 (0.42) F2NTSR1RENOPRD1
SCHEMBL31120789 0.79 PTPN1 (0.52) OPRD1
SCHEMBL29401177 0.79 CMA1 (0.43) F2CMA1REN

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-120004970-A Method for green cleavage of protective peptide from 2-chlorotrityl chloride resin 南京工业大学 2025-05-16 — — CN disclosed
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