SCHEMBL30873115

SCHEMBL30873115

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.56
▸ CTSB P07858 2/20 0.56
▸ C5AR1 P21730 2/20 0.55
▸ KISS1R Q969F8 5/20 0.53
▸ DPP3 Q9NY33 5/20 0.51
▸ CXCR4 P61073 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ CALCRL Q16602 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ GLP1R P43220 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
SCHEMBL30834802 0.93 CAPN1 (0.58) CAPN1CTSBC5AR1KISS1RCCKBR
SCHEMBL30465929 0.89 CAPN1 (0.54) CAPN1CTSBC5AR1KISS1RDPP3
SCHEMBL30901434 0.87 CAPN1 (0.53) CAPN1CTSBC5AR1KISS1RDPP3
SCHEMBL30570801 0.86 GLP1R (0.58) C5AR1KISS1RCXCR4CCKBRGLP1R
SCHEMBL31347814 0.86 C5AR1 (0.48) CAPN1CTSBC5AR1KISS1RDPP3
SCHEMBL31040595 0.86 DPP3 (0.56) C5AR1DPP3
SCHEMBL31527736 0.85 F2 (0.56) KISS1RCALCRL
SCHEMBL31073544 0.85 KISS1R (0.57) C5AR1KISS1RCCKBRGLP1R
SCHEMBL30380823 0.84 C5AR1 (0.62) CAPN1CTSBC5AR1KISS1RDPP3
SCHEMBL29845379 0.84 C5AR1 (0.56) CAPN1CTSBC5AR1KISS1RDPP3

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-4593631-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME Mars, Incorporated (US) 2025-08-06 — — EP disclosed
WO-2024073025-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-04 — — WO disclosed
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