SCHEMBL29630731

SCHEMBL29630731

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.51
OPRM1 P35372 7/20 0.51
OPRK1 P41145 2/20 0.51
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
PGGT1B P53609 3/20 0.46
C3AR1 Q16581 1/20 0.44
ERAP2 Q6P179 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
QRFPR Q96P65 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
SCHEMBL29575686 0.98 OPRD1 (0.49) OPRD1OPRM1OPRK1FNTAFNTB
SCHEMBL30626300 0.93 OPRD1 (0.53) OPRD1OPRM1OPRK1QRFPR
SCHEMBL29630522 0.93 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL30692724 0.92 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29630726 0.92 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL29569045 0.91 OPRM1 (0.47) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29630648 0.91 OPRD1 (0.47) OPRD1OPRM1OPRK1FNTAFNTB
SCHEMBL29568713 0.91 ERAP2 (0.51) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29569091 0.91 ERAP2 (0.51) OPRD1OPRM1OPRK1ERAP2LNPEP
SCHEMBL29568898 0.90 OPRL1 (0.50) OPRD1OPRM1OPRK1ERAP2LNPEP

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