SCHEMBL29557080

SCHEMBL29557080

CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.40
▸ BACE2 Q9Y5Z0 2/20 0.40
▸ GLP1R P43220 3/20 0.40
▸ CTSD P07339 2/20 0.40
▸ C5AR1 P21730 2/20 0.39
▸ SCTR P47872 1/20 0.39
▸ CALCR P30988 1/20 0.39
▸ GCGR P47871 1/20 0.39

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
SCHEMBL29557273 0.96 GLP1R (0.41) BACE1BACE2GLP1RCTSDC5AR1
SCHEMBL29478145 0.92 SLC15A2 (0.40) BACE1BACE2GLP1RCTSDC5AR1
SCHEMBL29381521 0.91 BACE1 (0.40) BACE1BACE2GLP1RCTSDSCTR
SCHEMBL30974298 0.91 FOLH1 (0.42) BACE1BACE2GLP1RSCTRGCGR
SCHEMBL29557539 0.90 GLP1R (0.40) BACE1BACE2GLP1RC5AR1SCTR
SCHEMBL29557424 0.90 SLC15A2 (0.43) GLP1RC5AR1SCTRGCGR
SCHEMBL30512516 0.90 BACE1 (0.46) BACE1GLP1RCALCR
SCHEMBL29732685 0.90 SLC15A2 (0.44) C5AR1
SCHEMBL29557006 0.88 GLP1R (0.41) GLP1RSCTR
SCHEMBL30974539 0.88 BACE1 (0.47) BACE1BACE2GLP1RC5AR1SCTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
CN-114945579-A Heme derivatives, their preparation and use 吉林省澳宇生物科技有限公司 2022-08-26 — — CN disclosed
CN-114053398-A New medicinal application of heme polypeptide derivative 吉林省澳宇生物科技有限公司 2022-02-18 — — CN disclosed
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