SCHEMBL4649484

SCHEMBL4649484

CN1CCN(c2ccc3cc(O)ccc3c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.69
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TOP1 P11387 2/20 0.49
TOP2A P11388 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
PTK2B Q14289 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
ABL1 P00519 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL30480093 0.81 TERT (0.55) HTR3AKDM4ENPC1RAB9AALDH1A1
SCHEMBL6002185 0.81 HTR3A (1.00) HTR3AKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7723267 0.81 TERT (0.55) HTR3AKDM4ENPC1RAB9AALDH1A1
SCHEMBL15534827 0.81 HTR3A (0.50) HTR3AKDM4EALDH1A1HSD17B10GAA
SCHEMBL526167 0.81 ALDH1A1 (0.63) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1905445 0.79 MAPT (0.48) HTR3AKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20784267 0.79 HTR3A (0.69) HTR3AKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4649483 0.79 MAPT (0.59) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1039861 0.78 DRD2 (0.68) HTR3AMAPTKMT2AMEN1ADRA2C
SCHEMBL29566812 0.78 DRD2 (0.68) HTR3AMAPTKMT2AMEN1ADRA2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed