SCHEMBL21100976

SCHEMBL21100976

C[S+]([O-])c1ccc(CN2CCC(CNC3CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.44
MAOB P27338 2/20 0.44
CXCR4 P61073 2/20 0.44
ACHE P22303 7/20 0.43
BACE1 P56817 7/20 0.43
BCHE P06276 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
SCN5A Q14524 1/20 0.41
CXCR3 P49682 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40

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 0.80 ACHE (0.48) KDM1AMAOBCXCR4ACHEBACE1
SCHEMBL20907239 0.79 ALDH1A1 (0.51) KDM1AMAOBCXCR4ACHEBACE1
SCHEMBL21101096 0.79 BCHE (0.62) ACHEBACE1BCHEDRD2SLC6A4
SCHEMBL28169202 0.79 CXCR4 (0.68) KDM1AMAOBCXCR4ACHEBACE1
SCHEMBL21101233 0.76 SIGMAR1 (0.50) KDM1AMAOBCXCR4ACHEBACE1
SCHEMBL21101338 0.76 CXCR4 (0.49) KDM1AMAOBCXCR4ACHEBACE1
SCHEMBL21100972 0.76 CXCR4 (0.49) KDM1AMAOBCXCR4ACHEBACE1
SCHEMBL21101256 0.75 SIGMAR1 (0.52) KDM1AMAOBCXCR4ACHEBACE1
SCHEMBL19725557 0.75 KDM1A (0.67) KDM1AMAOBCXCR4MEN1KMT2A
SCHEMBL21101336 0.74 KDM4E (0.61) KDM1AMAOBACHEBCHEMEN1

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