SCHEMBL31453812

SCHEMBL31453812

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.67
▸ CALCR P30988 6/20 0.64
▸ HCRTR1 O43613 1/20 0.62
▸ HCRTR2 O43614 1/20 0.62
▸ NTSR1 P30989 2/20 0.56
▸ NTSR2 O95665 1/20 0.56
▸ CCKBR P32239 2/20 0.55
▸ GLP1R P43220 2/20 0.55
▸ CRHR1 P34998 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ NMBR P28336 1/20 0.54
▸ GRPR P30550 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
SCHEMBL31453815 1.00 F2 (0.67) F2CALCRHCRTR1HCRTR2NTSR1
SCHEMBL29903351 0.89 CALCR (0.71) F2CALCRHCRTR1HCRTR2CCKBR
SCHEMBL30432818 0.88 F2 (0.73) F2CALCRHCRTR1HCRTR2CCKBR
SCHEMBL30216268 0.87 F2 (0.67) F2CALCRHCRTR1HCRTR2CCKBR
SCHEMBL31453820 0.87 F2 (0.55) F2CALCRHCRTR1HCRTR2NMBR
SCHEMBL31182671 0.87 CALCR (0.70) F2CALCRHCRTR1HCRTR2CCKBR
SCHEMBL29420258 0.86 NTSR1 (0.60) F2CALCRNTSR1NTSR2
SCHEMBL29377200 0.86 NTSR1 (0.61) F2NTSR1NTSR2
SCHEMBL31433201 0.86 F2 (0.59) F2CALCRHCRTR1HCRTR2CCKBR
SCHEMBL20707335 0.86 NPY1R (0.62) NTSR1NTSR2

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-122070294-A Stable vitreous material based on histidine, arginine and glutamic acid amino acids 阵序补丁有限公司 2026-05-19 — — CN disclosed
WO-2025032025-A1 STABLE GLASSY MATERIAL BASED ON HISTIDINE, ARGININE AND GLUTAMIC ACID AMINO ACIDS VITROPEP (FR) 2025-02-13 — — WO disclosed
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