SCHEMBL30254174

SCHEMBL30254174

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.57
CTSL P07711 3/20 0.54
CTSS P25774 3/20 0.54
CTSK P43235 3/20 0.54
CTSH P09668 1/20 0.54
OPRD1 P41143 6/20 0.53
OPRM1 P35372 5/20 0.53
DPP3 Q9NY33 5/20 0.51
CXCR4 P61073 1/20 0.51
CAPN1 P07384 2/20 0.48
CTSB P07858 2/20 0.48
TACR1 P25103 1/20 0.48

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
SCHEMBL31328327 1.00 C5AR1 (0.57) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30254337 0.95 DPP3 (0.55) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30617830 0.88 C5AR1 (0.61) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30362528 0.87 C5AR1 (0.55) C5AR1OPRD1CXCR4CAPN1CTSB
SCHEMBL30254014 0.87 CAPN1 (0.57) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31328328 0.87 CAPN1 (0.57) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30254065 0.86 CAPN1 (0.59) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29677279 0.86 DPP4 (0.48) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29649745 0.86 DPP3 (0.58) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30618378 0.86 DPP3 (0.60) C5AR1CTSLCTSSCTSKCTSH

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