SCHEMBL29614438

SCHEMBL29614438

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.46
▸ GLP1R P43220 9/20 0.45
▸ SCTR P47872 1/20 0.45
▸ C5AR1 P21730 1/20 0.45
▸ APLNR P35414 3/20 0.44
▸ GCGR P47871 1/20 0.42
▸ OPRM1 P35372 1/20 0.42

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
SCHEMBL29614462 0.93 TFPI (0.46) MC4RC5AR1APLNR
SCHEMBL29614491 0.91 CTSL (0.46) MC4RGLP1RSCTRC5AR1APLNR
SCHEMBL29614488 0.91 CTSL (0.46) MC4RGLP1RSCTRC5AR1APLNR
SCHEMBL30713449 0.91 NPY4R (0.43) MC4RC5AR1APLNROPRM1
SCHEMBL30525411 0.91 NPY4R (0.44) C5AR1
SCHEMBL29809185 0.90 GLP1R (0.45) MC4RGLP1RSCTRC5AR1GCGR
SCHEMBL32677406 0.90 GLP1R (0.43) MC4RGLP1RSCTRC5AR1GCGR
SCHEMBL29614399 0.90 SLC15A2 (0.50) MC4RC5AR1APLNROPRM1
SCHEMBL29614382 0.90 SLC15A2 (0.50) MC4RC5AR1APLNROPRM1
SCHEMBL31032668 0.89 GLP1R (0.51) GLP1RSCTRC5AR1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134659-B Nucleic acid vector and application thereof 中国人民解放军军事医学科学院毒物药物研究所 2022-04-26 — — CN disclosed
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