Sugi Predict

Sugi Predict / Compounds / SCHEMBL31094878

SCHEMBL31094878

SCHEMBL31094878

C[C@H](NC(=O)[C@@H](N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.41
▸ NMBR P28336 1/20 0.40
▸ PTPN1 P18031 1/20 0.37
▸ OPRD1 P41143 4/20 0.35
▸ CCKBR P32239 3/20 0.35
▸ CCKAR P32238 3/20 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
SCHEMBL30882170 0.92 SIRT2 (0.43) SIRT2NMBRPTPN1
SCHEMBL30277394 0.90 NMBR (0.44) SIRT2NMBR
SCHEMBL30665993 0.83 NMBR (0.44) SIRT2NMBR
SCHEMBL30107538 0.82 SIRT2 (0.44) SIRT2NMBR
SCHEMBL30107533 0.81 REN (0.41) SIRT2NMBR
SCHEMBL29549611 0.81 SIRT2 (0.37) SIRT2NMBR
SCHEMBL30250367 0.81 NMBR (0.42) SIRT2NMBR
SCHEMBL30129799 0.79 SIRT2 (0.46) SIRT2NMBR
SCHEMBL29427178 0.79 NMBR (0.51) SIRT2NMBR
SCHEMBL29427176 0.79 NMBR (0.51) SIRT2NMBR

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
EP-4662222-A1 PROCESS FOR THE PREPARATION OF TETRAPEPTIDE FRAGMENT OF LIRAGLUTIDE Fresenius Kabi Oncology Ltd (IN) 2025-12-17 — — EP disclosed
WO-2024166022-A1 PROCESS FOR THE PREPARATION OF TETRAPEPTIDE FRAGMENT OF LIRAGLUTIDE FRESENIUS KABI ONCOLOGY LTD (IN) 2024-08-15 — — WO disclosed
Send feedback