SCHEMBL30930541

SCHEMBL30930541

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 12/20 0.54
▸ SCTR P47872 1/20 0.54
▸ GCGR P47871 1/20 0.52
▸ TFPI P10646 1/20 0.51
▸ PRMT1 Q99873 1/20 0.50
▸ OPRL1 P41146 1/20 0.50
▸ CXCR4 P61073 1/20 0.49

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
SCHEMBL29469826 0.90 KEAP1 (0.54) GLP1RSCTRGCGRTFPI
SCHEMBL29384813 0.89 GLP1R (0.49) GLP1RSCTRGCGR
SCHEMBL30262188 0.89 GLP1R (0.59) GLP1RSCTRGCGRTFPI
SCHEMBL29387542 0.88 GLP1R (0.49) GLP1RSCTRGCGR
SCHEMBL31032668 0.88 GLP1R (0.51) GLP1RSCTRGCGRTFPIOPRL1
SCHEMBL31032683 0.88 GLP1R (0.51) GLP1RSCTRGCGRTFPIOPRL1
SCHEMBL30299506 0.87 TFPI (0.49) GLP1RSCTRGCGRTFPIPRMT1
SCHEMBL31005069 0.87 TFPI (0.64) GLP1RSCTRGCGRTFPI
SCHEMBL30974478 0.87 GLP1R (0.49) GLP1RSCTRGCGR
SCHEMBL30779354 0.87 GLP1R (0.67) 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-112029766-B Application of double-stranded RNA 江苏仁明生物科技有限公司 2024-06-18 — — CN disclosed
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