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Sugi Predict / Compounds / SCHEMBL30932066

SCHEMBL30932066

SCHEMBL30932066

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.77
▸ CRHR1 P34998 1/20 0.72
▸ CRHR2 Q13324 1/20 0.72
▸ GLP1R P43220 4/20 0.68
▸ KEAP1 Q14145 1/20 0.67
▸ NPY2R P49146 7/20 0.66
▸ NPY4R P50391 7/20 0.66
▸ NPY5R Q15761 7/20 0.66
▸ NPY1R P25929 5/20 0.66
▸ RAMP1 O60894 1/20 0.65
▸ RAMP2 O60895 1/20 0.65
▸ RAMP3 O60896 1/20 0.65
▸ CALCRL Q16602 1/20 0.65
▸ GCGR P47871 3/20 0.65

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
SCHEMBL30658283 0.95 CALCR (0.74) CALCRCRHR1CRHR2GLP1RKEAP1
SCHEMBL30565137 0.94 CALCR (0.76) CALCRCRHR1CRHR2GLP1RKEAP1
SCHEMBL30884870 0.93 CALCR (0.75) CALCRCRHR1CRHR2GLP1RKEAP1
SCHEMBL29462637 0.93 CALCR (0.79) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL29724187 0.93 CALCR (0.79) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30358206 0.92 CALCR (0.70) CALCRCRHR1CRHR2GLP1RKEAP1
SCHEMBL30932076 0.92 CALCR (0.82) CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29767110 0.92 CALCR (0.82) CALCRCRHR1CRHR2GLP1RNPY2R
SCHEMBL30358145 0.92 CALCR (0.68) CALCRCRHR1CRHR2GLP1RKEAP1
SCHEMBL29767063 0.92 CALCR (0.79) CALCRCRHR1CRHR2GLP1RNPY2R

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
WO-2024119434-A1 SOLUBILIZATION-ASSISTING SHORT PEPTIDE TAG WITH ACIDIC SURFACE FOR IMPROVING EXPRESSION EFFICIENCY OF RECOMBINANT PROTEIN 宜明（济南）生物科技有限公司 2024-06-13 — — WO disclosed
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