SCHEMBL30020949

SCHEMBL30020949

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.49
▸ BACE2 Q9Y5Z0 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ CTSD P07339 3/20 0.42
▸ CASP3 P42574 1/20 0.40
▸ CASP7 P55210 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
SCHEMBL31596910 0.93 BACE1 (0.47) BACE1BACE2OPRD1CTSD
SCHEMBL30640025 0.92 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL30873786 0.92 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL30567747 0.90 BACE1 (0.46) BACE1OPRD1CTSD
SCHEMBL28964063 0.90 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL30637767 0.90 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL29421174 0.89 BACE1 (0.37) BACE1OPRD1CTSD
SCHEMBL31420013 0.89 BACE1 (0.45) BACE1BACE2CTSDCASP3CASP7
SCHEMBL30512755 0.89 BACE1 (0.42) BACE1
SCHEMBL30261968 0.88 BACE1 (0.39) BACE1BACE2CTSD

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
US-20220378933-A1 IL-2 COMPOSITIONS AND METHODS OF USE THEREOF PROVIVA THERAPEUTICS (HONG KONG) LIMITED (CN) 2022-12-01 — — US disclosed
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