SCHEMBL29939552

SCHEMBL29939552

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.63
▸ SCTR P47872 1/20 0.63
▸ TFPI P10646 1/20 0.62
▸ CALCR P30988 4/20 0.62
▸ VIPR1 P32241 1/20 0.61
▸ GCGR P47871 1/20 0.60

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
SCHEMBL31182541 0.95 GLP1R (0.66) GLP1RSCTRTFPICALCRVIPR1
SCHEMBL29399354 0.95 CALCR (0.67) GLP1RSCTRTFPICALCRVIPR1
SCHEMBL31127551 0.93 CALCR (0.67) GLP1RSCTRTFPICALCRVIPR1
SCHEMBL30910839 0.91 VIPR1 (0.65) GLP1RSCTRTFPIVIPR1GCGR
SCHEMBL29625329 0.91 TFPI (0.58) GLP1RSCTRTFPICALCRVIPR1
SCHEMBL31000893 0.91 CALCR (0.67) GLP1RSCTRCALCRVIPR1GCGR
SCHEMBL30712892 0.91 GLP1R (0.66) GLP1RSCTRCALCRVIPR1
SCHEMBL30495762 0.91 GLP1R (0.69) GLP1RSCTRTFPIGCGR
SCHEMBL30108347 0.91 GLP1R (0.72) GLP1RSCTRGCGR
SCHEMBL30428453 0.91 GLP1R (0.66) GLP1RSCTRTFPIVIPR1GCGR

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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