SCHEMBL29630620

SCHEMBL29630620

NC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.38
▸ OPRM1 P35372 10/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ F2 P00734 4/20 0.34

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
SCHEMBL29590556 0.99 OPRD1 (0.39) OPRD1OPRM1OPRK1MEN1KMT2A
SCHEMBL29373629 0.89 ECE1 (0.39) MEN1KMT2AECE1
SCHEMBL29590467 0.89 GRPR (0.39) OPRD1OPRM1OPRK1F2
SCHEMBL32677418 0.88 SLC15A2 (0.43) F2
SCHEMBL31590090 0.88 OPRD1 (0.35) OPRD1OPRM1OPRK1MEN1KMT2A
SCHEMBL11028917 0.87 OPRD1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL11028909 0.87 OPRD1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL29630518 0.87 OPRD1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL30504749 0.86 OPRM1 (0.36) OPRD1OPRM1OPRK1F2
SCHEMBL30192164 0.86 BACE1 (0.36) ECE1

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
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