Sugi Predict

Sugi Predict / Compounds / SCHEMBL30254065

SCHEMBL30254065

SCHEMBL30254065

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.59
▸ CTSB P07858 2/20 0.59
▸ C5AR1 P21730 2/20 0.57
▸ DPP3 Q9NY33 5/20 0.56
▸ REN P00797 2/20 0.49
▸ NTSR2 O95665 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ SORT1 Q99523 1/20 0.48
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSH P09668 1/20 0.47
▸ TACR2 P21452 1/20 0.47

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
SCHEMBL31328328 0.96 CAPN1 (0.57) CAPN1CTSBC5AR1DPP3REN
SCHEMBL30254014 0.96 CAPN1 (0.57) CAPN1CTSBC5AR1DPP3REN
SCHEMBL30254337 0.91 DPP3 (0.55) CAPN1CTSBC5AR1DPP3NTSR2
SCHEMBL30572393 0.88 C5AR1 (0.61) CAPN1CTSBC5AR1DPP3REN
SCHEMBL29845379 0.88 C5AR1 (0.56) CAPN1CTSBC5AR1DPP3REN
SCHEMBL29637421 0.87 DPP3 (0.62) C5AR1DPP3REN
SCHEMBL31328327 0.86 C5AR1 (0.57) CAPN1CTSBC5AR1DPP3CTSL
SCHEMBL30254174 0.86 C5AR1 (0.57) CAPN1CTSBC5AR1DPP3CTSL
SCHEMBL30680638 0.86 C5AR1 (0.59) CAPN1CTSBC5AR1DPP3REN
SCHEMBL29531728 0.86 C5AR1 (0.59) C5AR1DPP3REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720873-B1 GLUCAGON-LIKE PEPTIDES IP2IPO INNOVATIONS LTD (GB) 2024-12-04 — — EP claimed
US-11591380-B2 Glucagon-like peptides IP2IPO INNOVATIONS LIMITED (GB) 2023-02-28 — — US claimed
EP-3720873-B1 GLUCAGON-LIKE PEPTIDES IP2IPO INNOVATIONS LTD (GB) 2024-12-04 — — EP disclosed
US-11591380-B2 Glucagon-like peptides IP2IPO INNOVATIONS LIMITED (GB) 2023-02-28 — — US disclosed