SCHEMBL30046082

SCHEMBL30046082

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.69
▸ MAGI3 Q5TCQ9 1/20 0.51
▸ CCKBR P32239 8/20 0.50
▸ MMP2 P08253 2/20 0.50
▸ CCKAR P32238 2/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ KISS1R Q969F8 6/20 0.49
▸ ECE1 P42892 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL30046015 0.94 EDNRA (0.62) EDNRAMAGI3CCKBRKISS1R
SCHEMBL30533188 0.92 EDNRA (0.73) EDNRAMAGI3CCKBRMMP2CCKAR
SCHEMBL30533189 0.91 EDNRA (0.73) EDNRAMAGI3MMP2MMP9MMP8
SCHEMBL30533182 0.91 EDNRA (0.71) EDNRAMAGI3MMP2MMP9MMP8
SCHEMBL30045143 0.91 EDNRA (0.57) EDNRAMAGI3CCKBRCCKAR
SCHEMBL30045690 0.89 CCKBR (0.60) EDNRACCKBRCCKAR
SCHEMBL30533176 0.89 EDNRA (0.65) EDNRAKISS1R
SCHEMBL30045857 0.88 EDNRA (0.68) EDNRAMMP2MMP9MMP8MMP1
SCHEMBL7996597 0.88 EDNRA (0.67) EDNRAMMP2MMP9MMP8MMP1
SCHEMBL7996606 0.88 EDNRA (0.67) EDNRAMMP2MMP9MMP8MMP1

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
US-11634458-B2 Peptides and compositions for use in cosmetics and medicine LIPOTRUE, S.L. (ES) 2023-04-25 — — US claimed
EP-3758730-B1 PEPTIDES AND COMPOSITIONS FOR USE IN COSMETICS AND MEDICINE LIPOTRUE S L (ES) 2022-11-02 — — EP claimed
US-11634458-B2 Peptides and compositions for use in cosmetics and medicine LIPOTRUE, S.L. (ES) 2023-04-25 — — US disclosed
EP-3758730-B1 PEPTIDES AND COMPOSITIONS FOR USE IN COSMETICS AND MEDICINE LIPOTRUE S L (ES) 2022-11-02 — — EP disclosed
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