SCHEMBL24811345

SCHEMBL24811345

c1ccc([C@@H]2C[C@H]2N[C@H]2COC3(CNC3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 19/20 0.58
MAOA P21397 4/20 0.56
MAOB P27338 9/20 0.54
CISD1 Q9NZ45 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
KDM1B Q8NB78 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47

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
SCHEMBL24812728 1.00 KDM1A (0.58) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL24812385 1.00 KDM1A (0.58) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL24811346 1.00 KDM1A (0.58) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL24810984 0.87 KDM1A (0.66) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL24811335 0.87 KDM1A (0.66) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL24811338 0.87 KDM1A (0.66) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL24811331 0.87 KDM1A (0.66) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL24810985 0.80 KDM1A (0.60) KDM1AMAOAMAOB
SCHEMBL29721107 0.79 KDM1A (0.74) KDM1AMAOAMAOBCISD1SLC6A2
SCHEMBL21843448 0.78 KDM1A (0.58) KDM1A

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
WO-2022267495-A1 NITROGEN-CONTAINING OXA-SPIROCYCLIC COMPOUND AND USE THEREOF 南昌弘益药业有限公司 2022-12-29 WO disclosed