SCHEMBL30823995

SCHEMBL30823995

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.53
▸ CTSD P07339 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL30659892 1.00 BACE1 (0.53) BACE1CTSDNAALAD2BACE2PTPN1
SCHEMBL30659882 0.95 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30533108 0.93 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL29777847 0.91 BACE1 (0.49) BACE1CTSDBACE2PTPN1
SCHEMBL30533136 0.91 BACE1 (0.58) BACE1CTSDNAALAD2BACE2
SCHEMBL30719918 0.90 BACE1 (0.44) BACE1CTSDBACE2PTPN1
SCHEMBL30799789 0.89 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL29683929 0.89 BACE1 (0.47) BACE1CTSDBACE2PTPN1
SCHEMBL29470189 0.89 OPRD1 (0.46) —
SCHEMBL29881615 0.88 PTPN1 (0.47) BACE1CTSDBACE2PTPN1

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-117338901-A Scorpio active peptide composition and preparation method and application thereof 深圳市罗湖区人民医院 2024-01-05 — — CN disclosed
Send feedback