SCHEMBL29630429

SCHEMBL29630429

CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.47
OPRM1 P35372 3/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
F2 P00734 1/20 0.43
XIAP P98170 1/20 0.42

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
SCHEMBL30185040 0.89 GRB2 (0.45) GRB2OPRM1OPRD1OPRK1FNTA
SCHEMBL7753982 0.89 F2 (0.51) GRB2OPRM1F2XIAP
SCHEMBL7753988 0.89 F2 (0.51) GRB2OPRM1F2XIAP
SCHEMBL30052397 0.88 XIAP (0.48) GRB2OPRM1FNTAFNTBF2
SCHEMBL30591055 0.87 GRB2 (0.45) GRB2OPRM1OPRD1FNTAFNTB
SCHEMBL29630464 0.87 LMNA (0.43) GRB2FNTAFNTBF2XIAP
SCHEMBL30051457 0.86 DPP4 (0.46) GRB2OPRM1FNTAFNTBXIAP
SCHEMBL29436016 0.86 CAPN1 (0.44) GRB2OPRM1XIAP
SCHEMBL30075945 0.85 XIAP (0.44) GRB2OPRM1OPRD1OPRK1FNTA
SCHEMBL31022660 0.85 OPRM1 (0.56) OPRM1OPRD1

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