SCHEMBL29407562

SCHEMBL29407562

CC(C)C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.60
▸ CTSD P07339 2/20 0.57
▸ BACE2 Q9Y5Z0 4/20 0.56

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
SCHEMBL29860263 1.00 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL30763285 0.94 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL29654742 0.92 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL30272230 0.91 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL28964063 0.91 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL30637767 0.91 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL31529691 0.90 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL31529688 0.90 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL30449460 0.89 VIPR2 (0.56) BACE1
SCHEMBL31510665 0.89 BACE1 (0.52) BACE1BACE2

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
CN-114137114-A Teriparatide isotope internal standard, preparation method and application thereof 信立泰(苏州)药业有限公司 2022-03-04 — — CN disclosed
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