SCHEMBL30721545

SCHEMBL30721545

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 6/20 0.58
▸ OPRM1 P35372 6/20 0.52
▸ OPRD1 P41143 6/20 0.52
▸ OPRK1 P41145 5/20 0.52
▸ TFPI P10646 1/20 0.51
▸ KEAP1 Q14145 3/20 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
SCHEMBL30721551 0.92 GLP1R (0.70) GLP1ROPRM1OPRD1OPRK1TFPI
SCHEMBL30139565 0.91 GLP1R (0.72) GLP1ROPRM1OPRD1OPRK1TFPI
SCHEMBL30721572 0.91 GLP1R (0.61) GLP1ROPRM1OPRD1OPRK1TFPI
SCHEMBL31759060 0.88 GLP1R (0.60) GLP1ROPRM1OPRD1OPRK1TFPI
SCHEMBL31347347 0.87 GLP1R (0.51) GLP1ROPRM1OPRD1OPRK1
SCHEMBL30262125 0.87 TFPI (0.57) GLP1ROPRM1OPRD1OPRK1TFPI
SCHEMBL30262213 0.85 OPRM1 (0.58) OPRM1OPRD1OPRK1TFPI
SCHEMBL29397161 0.85 BACE1 (0.49) OPRM1OPRD1OPRK1
SCHEMBL30080556 0.85 OPRM1 (0.61) GLP1ROPRM1OPRD1OPRK1
SCHEMBL38652561 0.85 BACE1 (0.59) GLP1R

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-117402256-A Protein dimers consisting of GLP-1 and EGF (A) analogues 乐普(北京)医疗器械股份有限公司 2024-01-16 — — CN disclosed
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