SCHEMBL29630648

SCHEMBL29630648

N=C(N)NCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.47
OPRM1 P35372 3/20 0.47
OPRK1 P41145 3/20 0.47
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
PGGT1B P53609 3/20 0.45
GNPAT O15228 1/20 0.45
TFPI P10646 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44
NPY5R Q15761 1/20 0.44

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
SCHEMBL29591949 0.95 OPRM1 (0.47) OPRD1OPRM1OPRK1TFPINPY1R
SCHEMBL29575686 0.93 OPRD1 (0.49) OPRD1OPRM1OPRK1FNTAFNTB
SCHEMBL30626300 0.93 OPRD1 (0.53) OPRD1OPRM1OPRK1GNPATNPY1R
SCHEMBL29630731 0.91 OPRD1 (0.51) OPRD1OPRM1OPRK1FNTAFNTB
SCHEMBL29569045 0.91 OPRM1 (0.47) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL29630522 0.91 OPRD1 (0.49) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL29568713 0.90 ERAP2 (0.51) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL29569091 0.90 ERAP2 (0.51) OPRD1OPRM1OPRK1NPY1RNPY2R
SCHEMBL30692724 0.90 OPRD1 (0.53) OPRD1OPRM1OPRK1GNPATNPY1R
SCHEMBL30903456 0.89 FOLH1 (0.49) OPRD1OPRM1OPRK1TFPINPY1R

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