SCHEMBL29939588

SCHEMBL29939588

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.49
▸ APLNR P35414 1/20 0.49
▸ GLP1R P43220 9/20 0.48
▸ SCTR P47872 1/20 0.48
▸ TFPI P10646 1/20 0.47
▸ GCGR P47871 1/20 0.46
▸ PTH1R Q03431 3/20 0.46
▸ IL23R Q5VWK5 1/20 0.45

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
SCHEMBL30823264 0.93 APLNR (0.50) C5AR1APLNRGLP1RSCTR
SCHEMBL31139071 0.90 APLNR (0.48) C5AR1APLNRGLP1RSCTRTFPI
SCHEMBL29965839 0.90 NPY4R (0.46) C5AR1APLNRGLP1RSCTRIL23R
SCHEMBL31496391 0.88 C5AR1 (0.49) C5AR1APLNRGLP1RSCTRTFPI
SCHEMBL29962070 0.88 GLP1R (0.52) C5AR1GLP1RSCTRPTH1R
SCHEMBL29754562 0.88 C5AR1 (0.45) C5AR1APLNRGLP1RSCTRIL23R
SCHEMBL6710592 0.88 NPY4R (0.51) C5AR1APLNRGLP1RSCTR
SCHEMBL6710584 0.88 NPY4R (0.51) C5AR1APLNRGLP1RSCTR
SCHEMBL29964770 0.87 GLP1R (0.50) C5AR1APLNRGLP1RSCTRTFPI
SCHEMBL31182619 0.87 GLP1R (0.58) GLP1RSCTRGCGR

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-115066254-A Human anti-inflammatory peptides for inhalation treatment of inflammatory lung diseases 阿德维塔生命科学有限责任公司 2022-09-16 — — CN disclosed
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