SCHEMBL21101005

SCHEMBL21101005

O=C(O)c1ccc(CN2CCC(CNC3CC3)CC2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.50
SIGMAR1 Q99720 3/20 0.50
DRD2 P14416 1/20 0.50
MAOB P27338 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
SCN5A Q14524 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC6A12 P48065 1/20 0.50
KCNH2 Q12809 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
CXCR4 P61073 1/20 0.46
HDAC6 Q9UBN7 5/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR2 P41597 1/20 0.45

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
SCHEMBL21101104 0.88 SIGMAR1 (0.50) KDM1ASIGMAR1DRD2MAOBHTR2A
SCHEMBL21101190 0.88 KDM1A (0.53) KDM1ASIGMAR1DRD2MAOBHTR2A
SCHEMBL12821659 0.84 KDM1A (0.74) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL12813712 0.84 KDM1A (0.74) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL19725557 0.84 KDM1A (0.67) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL21101256 0.81 SIGMAR1 (0.52) KDM1ASIGMAR1DRD2MAOBHTR2A
SCHEMBL21101194 0.80 MCHR1 (0.56) KDM1ASIGMAR1DRD2MAOBHTR2A
SCHEMBL21101342 0.80 CYP2D6 (0.60) KDM1ASIGMAR1DRD2MAOBHTR2A
SCHEMBL28169202 0.78 CXCR4 (0.68) KDM1ASIGMAR1MAOBHTR2AMEN1
SCHEMBL28246592 0.77 HTT (0.55) SIGMAR1MEN1KMT2ATP53MAPT

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