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SCHEMBL29644907

SCHEMBL29644907

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 7/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.57
▸ EDNRA P25101 1/20 0.56
▸ ERBB2 P04626 1/20 0.54
▸ NPBWR1 P48145 2/20 0.54
▸ PTH1R Q03431 2/20 0.53
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ CASP4 P49662 1/20 0.52
▸ CASP5 P51878 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CASP9 P55211 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ CASP8 Q14790 1/20 0.52
▸ CASP10 Q92851 1/20 0.52
▸ GHSR Q92847 1/20 0.52
▸ KISS1R Q969F8 1/20 0.51

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
SCHEMBL29644906 1.00 GLP1R (0.58) GLP1RRXFP1EDNRAERBB2NPBWR1
SCHEMBL30428862 0.93 ERBB2 (0.56) GLP1RRXFP1EDNRAERBB2PTH1R
SCHEMBL29384152 0.93 EDNRA (0.57) GLP1RRXFP1EDNRAERBB2NPBWR1
SCHEMBL31561805 0.90 EDNRA (0.60) GLP1REDNRANPBWR1MAGI3KISS1R
SCHEMBL1271579 0.88 MAGI3 (0.60) GLP1RRXFP1EDNRAERBB2MAGI3
SCHEMBL29427175 0.88 MAGI3 (0.59) GLP1REDNRAERBB2PTH1RMAGI3
SCHEMBL29850431 0.88 GLP1R (0.64) GLP1RRXFP1PTH1RKISS1R
SCHEMBL31006926 0.87 MAGI3 (0.57) GLP1REDNRAERBB2NPBWR1PTH1R
SCHEMBL30262030 0.87 MAGI3 (0.59) GLP1RRXFP1EDNRAERBB2MAGI3
SCHEMBL8177170 0.87 ERBB2 (0.65) GLP1RERBB2IL23RGHSRKISS1R

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-114466865-A Single domain antibodies that specifically bind to globuloglycan series 马克斯·普朗克科学促进学会 2022-05-10 — — CN disclosed
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