SCHEMBL21101241

SCHEMBL21101241

CNc1ccc(CN2CCC(CNC3CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.48
BACE1 P56817 8/20 0.48
KDM1A O60341 4/20 0.47
MAOB P27338 2/20 0.47
CXCR4 P61073 2/20 0.47
BCHE P06276 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
SCN5A Q14524 1/20 0.43
CXCR3 P49682 1/20 0.43
CCR3 P51677 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42

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
SCHEMBL21101336 0.83 KDM4E (0.61) ACHEKDM1AMAOBBCHEMEN1
SCHEMBL21101096 0.82 BCHE (0.62) ACHEBACE1BCHEDRD2SLC6A4
SCHEMBL20907239 0.82 ALDH1A1 (0.51) ACHEBACE1KDM1AMAOBCXCR4
SCHEMBL28169202 0.82 CXCR4 (0.68) ACHEBACE1KDM1AMAOBCXCR4
SCHEMBL21100976 0.80 KDM1A (0.44) ACHEBACE1KDM1AMAOBCXCR4
SCHEMBL21101233 0.79 SIGMAR1 (0.50) ACHEBACE1KDM1AMAOBCXCR4
SCHEMBL21101338 0.79 CXCR4 (0.49) ACHEBACE1KDM1AMAOBCXCR4
SCHEMBL21100972 0.79 CXCR4 (0.49) ACHEBACE1KDM1AMAOBCXCR4
SCHEMBL19725557 0.78 KDM1A (0.67) KDM1AMAOBCXCR4MEN1KMT2A
SCHEMBL21101256 0.78 SIGMAR1 (0.52) ACHEBACE1KDM1AMAOBCXCR4

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