SCHEMBL29862585

SCHEMBL29862585

O=C(O)[C@@H]1CCCN1C(=O)CN1CC[C@H](Oc2ccc(Cc3ccccc3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 4/20 0.44
ACE P12821 8/20 0.44
GYS1 P13807 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL28834196 0.90 LTA4H (0.53) POLBALDH1A1LTA4HACEL3MBTL1
SCHEMBL28834197 0.90 LTA4H (0.53) POLBALDH1A1LTA4HACEL3MBTL1
SCHEMBL23379628 0.88 POLB (0.46) POLBALDH1A1SMN1; SMN2LTA4HL3MBTL1
SCHEMBL29862589 0.86 HRH1 (0.53) ALDH1A1SMN1; SMN2ACEACE2HRH1
SCHEMBL23379629 0.85 DPP4 (0.51)
SCHEMBL23359515 0.85 DPP4 (0.51)
SCHEMBL23359512 0.85 DPP4 (0.51)
SCHEMBL28834365 0.79 PREP (0.45) ALDH1A1SMN1; SMN2ACE
SCHEMBL28834367 0.79 PREP (0.45) ALDH1A1SMN1; SMN2ACE
SCHEMBL23379659 0.78 ALDH1A1 (0.46) POLBALDH1A1L3MBTL1MEN1KMT2A

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-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed