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SCHEMBL30922367

SCHEMBL30922367

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 7/20 0.72
▸ HCRTR1 O43613 1/20 0.65
▸ HCRTR2 O43614 1/20 0.65
▸ F2 P00734 4/20 0.61
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ RAMP1 O60894 1/20 0.58
▸ RAMP2 O60895 1/20 0.58
▸ RAMP3 O60896 1/20 0.58
▸ CALCRL Q16602 1/20 0.58
▸ CCKBR P32239 2/20 0.58
▸ GLP1R P43220 2/20 0.58
▸ NPY2R P49146 3/20 0.58
▸ NPY4R P50391 3/20 0.58
▸ NPY5R Q15761 3/20 0.58
▸ NPY1R P25929 2/20 0.58

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
SCHEMBL30658271 0.95 CALCR (0.70) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30658274 0.94 CALCR (0.70) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30432477 0.92 CALCR (0.78) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29949630 0.90 CALCR (0.74) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31683348 0.90 CALCR (0.69) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30607298 0.89 CALCR (0.66) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30721582 0.88 CALCR (0.76) CALCRHCRTR1HCRTR2F2RAMP1
SCHEMBL30658200 0.88 CALCR (0.71) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30495661 0.88 F2 (0.70) CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31182828 0.88 CALCR (0.71) CALCRHCRTR1HCRTR2F2CRHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791549-A Method for changing substrate selectivity of protein at different temperatures through glycosylation modification 中国医学科学院药物研究所 2024-10-18 — — CN disclosed
CN-118184727-A Method for improving protein solubility through glycosylation modification 中国医学科学院药物研究所 2024-06-14 — — CN disclosed
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