SCHEMBL28623928

SCHEMBL28623928

O=CC1CCCN1NCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
OPRD1 P41143 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL15774142 0.78 DPP4 (0.31) LMNA
SCHEMBL22175770 0.76 ACE (0.41) KDM4ELMNA
SCHEMBL2678393 0.76 ACE (0.41) KDM4ELMNA
SCHEMBL27429752 0.73 FAP (0.34) KDM4EALDH1A1
SCHEMBL14114877 0.71 CARM1 (0.32)
SCHEMBL10144562 0.71 LMNA (0.34) ALDH1A1LMNA
SCHEMBL1107370 0.71
SCHEMBL14074860 0.71
SCHEMBL13448573 0.71 ADH1B (0.30)
SCHEMBL17812990 0.70 DPP4 (0.32) POLBALDH1A1LMNA

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-112552211-B Leonurine derivative and application thereof in preparation of medicines for preventing or treating ischemic cerebrovascular diseases 青岛海合生物科技有限公司 2023-04-14 CN disclosed
CN-112552211-A Leonurine derivative and application thereof in preparation of medicines for preventing or treating ischemic cerebrovascular diseases 青岛海合生物科技有限公司 2021-03-26 CN disclosed