SCHEMBL29808352

SCHEMBL29808352

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.47
CTSD P07339 4/20 0.47
OPRD1 P41143 7/20 0.45
BACE2 Q9Y5Z0 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
OPRM1 P35372 3/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL30720815 0.92 BACE1 (0.46) BACE1CTSDOPRD1BACE2
SCHEMBL7745414 0.90 BACE1 (0.42) BACE1CTSDOPRD1
SCHEMBL29362216 0.90 BACE1 (0.42) BACE1CTSDOPRD1
SCHEMBL30555686 0.89 DPP4 (0.45) BACE1CTSDOPRD1DPP4DPP8
SCHEMBL31410666 0.87 OPRD1 (0.42) BACE1CTSDOPRD1OPRM1OPRK1
SCHEMBL31410681 0.86 BACE1 (0.44) BACE1CTSDOPRD1OPRM1OPRK1
SCHEMBL31410885 0.85 GLO1 (0.42) BACE1CTSDOPRD1
SCHEMBL30563243 0.85 DPP4 (0.45) BACE1CTSDOPRD1DPP4DPP8
SCHEMBL6049342 0.84 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL6049343 0.84 BACE1 (0.48) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796123-A Self-assembled peptide nano preparation with anti-hepatic fibrosis function and preparation method and application thereof 安徽医科大学 2022-07-29 CN claimed
US-11667694-B2 Therapeutic uses of fibrinogen gamma prime variants FIBRIANT B.V. (NL) 2023-06-06 US disclosed
CN-114796123-A Self-assembled peptide nano preparation with anti-hepatic fibrosis function and preparation method and application thereof 安徽医科大学 2022-07-29 CN disclosed