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SCHEMBL31385184

SCHEMBL31385184

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=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)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 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.56
▸ GLP1R P43220 3/20 0.53
▸ SCTR P47872 1/20 0.53
▸ BACE1 P56817 4/20 0.53
▸ F2 P00734 4/20 0.53

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
SCHEMBL31385133 0.97 BACE1 (0.57) CALCRGLP1RBACE1
SCHEMBL31529693 0.97 BACE1 (0.57) CALCRGLP1RBACE1
SCHEMBL31548694 0.94 BACE1 (0.58) GLP1RSCTRBACE1
SCHEMBL31529688 0.91 BACE1 (0.63) BACE1
SCHEMBL31529691 0.91 BACE1 (0.63) BACE1
SCHEMBL31622472 0.91 CALCR (0.55) CALCRGLP1RSCTRBACE1F2
SCHEMBL34460635 0.91 CALCR (0.55) CALCRGLP1RSCTRBACE1F2
SCHEMBL31622473 0.89 CALCR (0.55) CALCRGLP1RSCTRBACE1F2
SCHEMBL29566290 0.89 GLP1R (0.60) CALCRGLP1RSCTRBACE1F2
SCHEMBL38665433 0.89 CALCR (0.54) CALCRGLP1RSCTRBACE1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119400538-B Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead 甘肃省科学院传感技术研究所 2025-04-04 — — CN claimed
CN-119400538-A Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead 甘肃省科学院传感技术研究所 2025-02-07 — — CN claimed
CN-119400538-B Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead 甘肃省科学院传感技术研究所 2025-04-04 — — CN disclosed
CN-119400538-A Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead 甘肃省科学院传感技术研究所 2025-02-07 — — CN disclosed
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