SCHEMBL29630478

SCHEMBL29630478

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
NPY4R P50391 1/20 0.55
BACE1 P56817 6/20 0.53
BACE2 Q9Y5Z0 2/20 0.53
OPRD1 P41143 8/20 0.52
OPRM1 P35372 6/20 0.52
OPRK1 P41145 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.50
ENPEP Q07075 2/20 0.49
CTSD P07339 1/20 0.49

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
SCHEMBL29630658 0.94 BACE1 (0.56) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL30900768 0.92 OPRD1 (0.54) NPY1RNPY2RNPY4ROPRD1OPRM1
SCHEMBL29416799 0.90 BACE1 (0.58) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL30343582 0.90 NPY4R (0.55) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29767368 0.90 NPY4R (0.55) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29591878 0.89 NAALAD2 (0.61) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29608986 0.89 NPY4R (0.57) NPY1RNPY2RNPY4RBACE1NAALAD2
SCHEMBL30799896 0.88 BACE1 (0.66) BACE1BACE2NAALAD2CTSD
SCHEMBL2184740 0.88 NPY4R (0.66) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL30799648 0.88 BACE1 (0.62) BACE1BACE2OPRD1OPRM1OPRK1

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