SCHEMBL21101336

SCHEMBL21101336

CC(=O)Nc1ccc(CN2CCC(CNC3CC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 1/20 0.61
KCNH2 Q12809 2/20 0.51
GPR119 Q8TDV5 1/20 0.51
OPRM1 P35372 1/20 0.51
ACHE P22303 2/20 0.50
MCHR1 Q99705 1/20 0.49
KDM1A O60341 3/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 1/20 0.48
MAOB P27338 2/20 0.47
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
SCN5A Q14524 1/20 0.47
BCHE P06276 1/20 0.46

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
SCHEMBL21101241 0.83 ACHE (0.48) KCNH2ACHEKDM1AKMT2AMEN1
SCHEMBL8940292 0.81 ALDH1A1 (0.71) KDM4EALDH1A1KCNH2GPR119OPRM1
SCHEMBL12966205 0.81 KDM1A (0.74) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL12813742 0.81 KDM1A (0.74) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL19725557 0.81 KDM1A (0.67) KDM1AKMT2AMEN1MAOBDRD2
SCHEMBL21101256 0.81 SIGMAR1 (0.52) ACHEKDM1AMAOBDRD2HTR2A
SCHEMBL16665723 0.80 ALDH1A1 (0.69) KDM4EALDH1A1KCNH2GPR119OPRM1
Hydrochloric Acid SCHEMBL16654841 0.79 ALDH1A1 (0.68) KDM4EALDH1A1KCNH2GPR119OPRM1
SCHEMBL28084764 0.79 KDM1A (0.72) KDM1AMAOBDRD2HTR2ASLC6A4
SCHEMBL15411661 0.79 KDM1A (0.76) 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