SCHEMBL31294399

SCHEMBL31294399

COC(=O)[C@@H]1CC[C@@H](NCc2ccccc2)CN1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.54
BCHE P06276 5/20 0.44
ACHE P22303 5/20 0.44
BACE1 P56817 5/20 0.44
ANPEP P15144 4/20 0.44
GRIN2B Q13224 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACE P12821 1/20 0.41
FKBP1A P62942 2/20 0.41
LTA4H P09960 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
SCHEMBL28578570 0.83 MMP2 (0.52) MMP2ANPEPKMT2AACEFKBP1A
SCHEMBL20299683 0.78 ACHE (0.49) BCHEACHEBACE1GRIN2BMEN1
SCHEMBL2405273 0.76 ALDH1A1 (0.52) MMP2BCHEACHEBACE1GRIN2B
SCHEMBL2405274 0.76 ALDH1A1 (0.52) MMP2BCHEACHEBACE1GRIN2B
SCHEMBL22609852 0.76 GRIN2B (0.51) BCHEACHEBACE1GRIN2BMEN1
SCHEMBL7446364 0.75 MMP2 (0.54) MMP2ANPEP
SCHEMBL7446357 0.75 MMP2 (0.54) MMP2ANPEP
SCHEMBL2822830 0.75 NPFFR1 (0.53) MMP2BCHEACHEBACE1MEN1
SCHEMBL2370547 0.75 LTA4H (0.48) MMP2BCHEACHEGRIN2BMEN1
SCHEMBL2370551 0.75 LTA4H (0.48) MMP2BCHEACHEGRIN2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707784-A Process for preparing amino acid derivatives 株式会社API 2025-03-28 CN disclosed
CN-112930338-B Process for preparing amino acid derivatives 株式会社API 2024-12-24 CN disclosed