SCHEMBL29679608

SCHEMBL29679608

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.49
▸ OPRM1 P35372 2/20 0.48
▸ XIAP P98170 1/20 0.46
▸ CTSB P07858 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ GRB2 P62993 1/20 0.43
▸ DPP3 Q9NY33 1/20 0.42
▸ REN P00797 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ CALCRL Q16602 1/20 0.41
▸ 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
SCHEMBL29630673 0.96 CAPN1 (0.47) CAPN1OPRM1XIAPCTSBSLC6A2
SCHEMBL29630498 0.94 CAPN1 (0.51) CAPN1OPRM1XIAPCTSBSLC6A2
SCHEMBL32689777 0.90 CAPN1 (0.57) CAPN1OPRM1XIAPCTSBSLC6A2
SCHEMBL29630574 0.89 CAPN1 (0.49) CAPN1XIAPCTSBSLC6A2GRB2
SCHEMBL29630674 0.88 CAPN1 (0.53) CAPN1XIAPCTSBSLC6A2GRB2
SCHEMBL29592580 0.88 SLC6A2 (0.60) OPRM1SLC6A2OPRD1
SCHEMBL32689781 0.86 CAPN1 (0.57) CAPN1XIAPCTSBGRB2REN
SCHEMBL30123097 0.85 ACE (0.49) CAPN1RENACE
SCHEMBL29590602 0.85 CAPN1 (0.51) CAPN1OPRM1XIAPCTSBSLC6A2
SCHEMBL29591478 0.84 CAPN1 (0.50) CAPN1OPRM1XIAPCTSBSLC6A2

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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