Sugi Predict

Sugi Predict / Compounds / SCHEMBL30123741

SCHEMBL30123741

SCHEMBL30123741

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.59
▸ BACE2 Q9Y5Z0 6/20 0.59
▸ OPRM1 P35372 3/20 0.57
▸ OPRD1 P41143 3/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ KISS1R Q969F8 3/20 0.53
▸ CTSD P07339 1/20 0.52
▸ TFPI P10646 1/20 0.51

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
SCHEMBL31538481 0.96 BACE1 (0.57) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL29372811 0.94 OPRM1 (0.64) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL31538474 0.92 OPRM1 (0.56) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL31538473 0.92 OPRM1 (0.61) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL30312171 0.90 OPRM1 (0.55) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL29373148 0.89 BACE1 (0.60) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL31759060 0.89 GLP1R (0.60) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL29375830 0.88 BACE1 (0.59) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL31683365 0.88 BACE1 (0.56) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL31510101 0.87 BACE1 (0.67) BACE1BACE2OPRM1OPRD1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025093774-A1 GLUCAGON-LIKE PEPTIDE 1 AGONISTS Constructive Biology Limited (GB) 2025-05-08 — — WO claimed
WO-2025093774-A1 GLUCAGON-LIKE PEPTIDE 1 AGONISTS Constructive Biology Limited (GB) 2025-05-08 — — WO disclosed
WO-2023279323-A1 METHOD FOR SYNTHESIZING GLP-1 ANALOG 深圳翰宇药业股份有限公司 2023-01-12 — — WO disclosed