SCHEMBL29630657

SCHEMBL29630657

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NPY4R P50391 9/20 0.39
NPY1R P25929 5/20 0.39
NPY2R P49146 4/20 0.39
NPY5R Q15761 4/20 0.39
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 5/20 0.36

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
SCHEMBL31410869 0.95 NPY4R (0.41) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29531427 0.95 NPY4R (0.41) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29736292 0.91 OPRL1 (0.45) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29987871 0.86 KEAP1 (0.45) KEAP1NPY4RNPY1RNPY2RNPY5R
SCHEMBL7996643 0.86 DPP7 (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29630393 0.86 DPP7 (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7996638 0.86 DPP7 (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29350570 0.86 DPP7 (0.42) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29575475 0.84 MME (0.41) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30063856 0.84 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5R

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