SCHEMBL29630322

SCHEMBL29630322

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.41
▸ CTSD P07339 1/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL29591626 1.00 BACE1 (0.41) BACE1CTSDPTPN1OPRD1OPRM1
SCHEMBL29590592 0.96 BACE1 (0.39) BACE1CTSDPTPN1OPRD1
SCHEMBL31314295 0.94 BACE1 (0.44) BACE1CTSDPTPN1OPRD1OPRM1
SCHEMBL29630382 0.94 BACE1 (0.36) BACE1CTSD
SCHEMBL31474495 0.94 BACE1 (0.33) BACE1OPRD1
SCHEMBL29630654 0.91 OPRD1 (0.37) BACE1OPRD1OPRM1OPRK1
SCHEMBL29383357 0.91 ECE1 (0.34) —
SCHEMBL29589213 0.91 FNTA (0.42) —
SCHEMBL30607941 0.90 BACE1 (0.41) BACE1CTSDPTPN1
SCHEMBL29511114 0.90 BACE1 (0.41) BACE1CTSDPTPN1

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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