SCHEMBL29511963

SCHEMBL29511963

C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.46
▸ REN P00797 1/20 0.46
▸ OPRM1 P35372 3/20 0.44
▸ OPRD1 P41143 2/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ XIAP P98170 1/20 0.41
▸ GRB2 P62993 1/20 0.41
▸ CAPN1 P07384 1/20 0.40

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
SCHEMBL30832896 0.90 OPRM1 (0.47) ACERENOPRM1OPRD1SLC6A2
SCHEMBL30444471 0.89 CTSD (0.46) ACERENSLC6A2CMA1DPP4
SCHEMBL29575785 0.88 DPP4 (0.53) ACERENOPRM1OPRD1CMA1
SCHEMBL30954023 0.88 CAPN1 (0.53) ACERENOPRM1OPRD1SLC6A2
SCHEMBL29482273 0.87 CAPN1 (0.55) OPRM1OPRD1SLC6A2CAPN1
SCHEMBL30536729 0.86 OPRM1 (0.44) ACERENOPRM1OPRD1SLC6A2
SCHEMBL7758744 0.85 ACE (0.64) ACERENDPP4FAPDPP8
SCHEMBL31126288 0.85 OPRM1 (0.42) ACERENOPRM1OPRD1CAPN1
SCHEMBL30443935 0.85 CALCRL (0.46) ACERENOPRM1SLC6A2XIAP
SCHEMBL31126301 0.85 CAPN1 (0.44) ACERENOPRM1OPRD1CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249816-B Molecular design of recombinant protein medicine 清华大学 2024-09-06 — — CN disclosed
EP-3269731-B1 MOLECULAR DESIGN OF RECOMBINANT PROTEIN DRUG UNIV TSINGHUA (CN) 2023-10-04 — — EP disclosed
CN-114249816-A Molecular design of recombinant protein medicine 清华大学 2022-03-29 — — CN disclosed
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