SCHEMBL29630465

SCHEMBL29630465

N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.38
▸ OPRM1 P35372 11/20 0.38
▸ PRMT1 Q99873 1/20 0.34
▸ OPRK1 P41145 4/20 0.34
▸ C5AR1 P21730 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ MME P08473 1/20 0.32

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
SCHEMBL29630518 0.97 OPRD1 (0.37) OPRD1OPRM1OPRK1
SCHEMBL30872895 0.93 PTGS1 (0.41) OPRD1OPRM1OPRK1MME
SCHEMBL29630685 0.93 OPRD1 (0.38) OPRD1OPRM1PRMT1OPRK1
SCHEMBL29649733 0.92 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL29590288 0.89 MME (0.36) MME
SCHEMBL29630315 0.89 MME (0.36) MME
SCHEMBL2132240 0.89 MME (0.36) MME
SCHEMBL30559586 0.89 MME (0.36) MME
SCHEMBL2132230 0.89 MME (0.36) MME
SCHEMBL30504749 0.88 OPRM1 (0.36) OPRD1OPRM1PRMT1OPRK1F2

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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