SCHEMBL21101609

SCHEMBL21101609

c1ccc(CN2CCC(CNC3C[C@@H]3c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 20/20 1.00
MAOB P27338 5/20 1.00
DRD2 P14416 1/20 0.78
HTR2A P28223 1/20 0.78
SLC6A4 P31645 1/20 0.78
SCN5A Q14524 1/20 0.78
HDAC6 Q9UBN7 3/20 0.73
HDAC1 Q13547 1/20 0.73
HDAC8 Q9BY41 1/20 0.73
MAOA P21397 2/20 0.60
KDM1B Q8NB78 1/20 0.60

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
SCHEMBL15411743 1.00 KDM1A (1.00) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL15424987 1.00 KDM1A (1.00) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL15411742 1.00 KDM1A (1.00) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL19513651 1.00 KDM1A (1.00) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL28084763 0.92 KDM1A (0.86) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL28084668 0.92 KDM1A (0.86) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12813658 0.91 KDM1A (0.84) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12813656 0.91 KDM1A (0.84) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12813680 0.91 KDM1A (0.84) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12813681 0.91 KDM1A (0.84) KDM1AMAOBDRD2HTR2ASLC6A4

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
EP-2688568-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-06-19 EP disclosed