SCHEMBL31514368

SCHEMBL31514368

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.49
▸ BACE2 Q9Y5Z0 4/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ CTSD P07339 1/20 0.45
▸ GRPR P30550 2/20 0.45

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
SCHEMBL31256975 0.89 BACE1 (0.42) BACE1BACE2CTSDGRPR
SCHEMBL30799934 0.88 BACE1 (0.45) BACE1BACE2PTPN1CTSD
SCHEMBL32677403 0.87 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL29680113 0.86 BACE1 (0.48) BACE1BACE2PTPN1CTSD
SCHEMBL29421173 0.86 BACE1 (0.38) BACE1CTSD
SCHEMBL30799391 0.84 BACE1 (0.54) BACE1BACE2PTPN1CTSDGRPR
SCHEMBL31041712 0.84 CRHR1 (0.39) GRPR
SCHEMBL30974323 0.84 BACE1 (0.47) BACE1BACE2CTSDGRPR
SCHEMBL30799953 0.84 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL31257073 0.83 MAGI3 (0.44) BACE1BACE2CTSDGRPR

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-119776332-A Enzymatic preparation process of histamine dihydrochloride 上海瀚鸿科技股份有限公司 2025-04-08 — — CN disclosed
Send feedback