SCHEMBL21100967

SCHEMBL21100967

COC(=O)c1ccc(CN2CC[C@@](N)(CN[C@@H]3C[C@H]3c3ccccc3)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 19/20 0.74
▸ MAOB P27338 4/20 0.74
▸ DRD2 P14416 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SCN5A Q14524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL19384019 0.85 KDM1A (1.00) KDM1AMAOB
SCHEMBL20656883 0.85 KDM1A (1.00) KDM1AMAOB
SCHEMBL18817631 0.78 KDM1A (0.81) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL15425027 0.77 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL16309046 0.77 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL15425028 0.77 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL16309047 0.77 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL15423786 0.77 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL15423787 0.77 KDM1A (0.73) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12813922 0.77 KDM1A (0.73) 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
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