SCHEMBL31041727

SCHEMBL31041727

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.49
▸ BACE1 P56817 4/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.48
▸ GLP1R P43220 5/20 0.48
▸ SCTR P47872 1/20 0.48
▸ VIPR1 P32241 1/20 0.47
▸ CALCR P30988 4/20 0.47
▸ GCGR P47871 1/20 0.47
▸ TFPI P10646 1/20 0.47
▸ VIPR2 P41587 1/20 0.47
▸ CTSD P07339 1/20 0.47
▸ CRHR1 P34998 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47

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
SCHEMBL31041728 0.97 BACE1 (0.49) C5AR1BACE1GLP1RSCTRCTSD
SCHEMBL31041749 0.96 CALCR (0.52) C5AR1GLP1RSCTRVIPR1CALCR
SCHEMBL31041723 0.95 BACE1 (0.47) C5AR1BACE1GLP1RSCTRGCGR
SCHEMBL31041721 0.94 CALCR (0.53) C5AR1GLP1RSCTRVIPR1CALCR
SCHEMBL31041672 0.93 CALCR (0.49) C5AR1BACE1GLP1RSCTRCALCR
SCHEMBL31041736 0.91 CALCR (0.49) C5AR1BACE1GLP1RSCTRCALCR
SCHEMBL31041718 0.91 CALCR (0.49) C5AR1BACE1GLP1RSCTRCALCR
SCHEMBL31041660 0.90 CALCR (0.49) C5AR1BACE1GLP1RSCTRCALCR
SCHEMBL31031469 0.89 BACE1 (0.52) C5AR1BACE1BACE2GLP1RSCTR
SCHEMBL29663575 0.89 BACE1 (0.49) BACE1BACE2GLP1RSCTRVIPR1

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-118184747-A Polypeptide with breast cancer resisting activity and application thereof 苏州青锐生物科技有限公司 2024-06-14 — — CN disclosed
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