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SCHEMBL30495685

SCHEMBL30495685

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.59
▸ KEAP1 Q14145 1/20 0.58
▸ GLP1R P43220 11/20 0.56
▸ CRHR1 P34998 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ CCKBR P32239 1/20 0.54

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
SCHEMBL31183011 0.91 GLP1R (0.63) CALCRGLP1R
SCHEMBL30567719 0.90 KEAP1 (0.55) CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL31182789 0.89 GLP1R (0.60) KEAP1GLP1R
SCHEMBL31182938 0.88 GLP1R (0.62) CALCRKEAP1GLP1R
SCHEMBL31182663 0.88 CALCR (0.63) CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL30906356 0.87 GLP1R (0.60) CALCRKEAP1GLP1R
SCHEMBL29595551 0.87 CALCR (0.68) CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL30658382 0.87 CALCR (0.67) CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL31441459 0.87 KEAP1 (0.65) KEAP1GLP1RCCKBR
SCHEMBL30658217 0.86 CALCR (0.73) CALCRGLP1RCRHR1CRHR2CCKBR

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
US-20230190887-A1 TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-22 — — US disclosed
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