SCHEMBL29630809

SCHEMBL29630809

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.45
▸ GRB2 P62993 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ PREP P48147 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ XIAP P98170 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ MLX Q9UH92 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 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
SCHEMBL29591830 0.98 CAPN1 (0.47) CAPN1GRB2SLC6A2DPP4PREP
SCHEMBL31031622 0.92 CALCRL (0.47) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL29630498 0.88 CAPN1 (0.51) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL29630574 0.87 CAPN1 (0.49) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL29655765 0.85 DPP4 (0.52) GRB2DPP4PREPDPP7XIAP
SCHEMBL29630673 0.85 CAPN1 (0.47) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL32689777 0.85 CAPN1 (0.57) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL30284980 0.85 CALCRL (0.46) CAPN1GRB2SLC6A2XIAPCTSB
SCHEMBL30674926 0.84 XIAP (0.47) CAPN1GRB2XIAPCTSBMLX
SCHEMBL30422893 0.83 CAPN1 (0.53) CAPN1GRB2SLC6A2DPP4PREP

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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