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SCHEMBL29533861

SCHEMBL29533861

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.74
▸ MC4R P32245 3/20 0.74
▸ MC5R P33032 2/20 0.74
▸ MC3R P41968 2/20 0.74
▸ MC1R Q01726 2/20 0.74
▸ CTSL P07711 3/20 0.65
▸ CTSS P25774 3/20 0.65
▸ CTSK P43235 3/20 0.65
▸ CTSH P09668 1/20 0.65
▸ GLP1R P43220 4/20 0.64
▸ GCGR P47871 3/20 0.63
▸ CXCR4 P61073 5/20 0.60
▸ CXCL8 P10145 1/20 0.59

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
SCHEMBL29973172 0.98 C5AR1 (0.77) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29430238 0.98 MC4R (0.78) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL18388638 0.97 C5AR1 (0.74) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL30017682 0.97 C5AR1 (0.77) C5AR1MC4RMC5RMC3RMC1R
Codactide SCHEMBL29409825 0.97 MC4R (0.74) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29534172 0.96 MC4R (0.78) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL29533733 0.96 MC4R (0.78) C5AR1MC4RMC5RMC3RMC1R
Cosyntropin SCHEMBL720535 0.96 C5AR1 (0.74) C5AR1MC4RMC5RMC3RMC1R
Cosyntropin SCHEMBL33366 0.96 C5AR1 (0.74) C5AR1MC4RMC5RMC3RMC1R
Cosyntropin SCHEMBL522396 0.96 C5AR1 (0.74) C5AR1MC4RMC5RMC3RMC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118680920-A New use of flavonoid compound stone chlorophyllin 华东师范大学 2024-09-24 — — CN disclosed
EP-3909948-B1 BIFUNCTIONAL DO2PA DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NAT RECH SCIENT (FR) 2024-02-28 — — EP disclosed
EP-4273142-A1 PICOLINATE CYCLAM PALLADIUM CHELATES AND USES THEREOF Université de Bretagne Occidentale (FR) 2023-11-08 — — EP disclosed
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
US-20220273766-A1 ENGINEERED NUCLEIC ACIDS AND METHODS OF USE THEREOF MODERNA THERAPEUTICS, INC. 2022-09-01 — — US disclosed
US-20220133839-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2022-05-05 — — US disclosed
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