SCHEMBL8973128

SCHEMBL8973128

c1ccc(OCCNc2ncccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.56
ALDH1A1 P00352 2/20 0.56
HTR1B P28222 2/20 0.55
DRD4 P21917 2/20 0.55
DRD2 P14416 1/20 0.55
DRD3 P35462 1/20 0.55
HTR1D P28221 1/20 0.55
HPGD P15428 1/20 0.53
KCNA3 P22001 1/20 0.50
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL7495602 0.82 PKM (0.58) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL6802151 0.80 ALDH1A1 (0.51) HTR7ALDH1A1DRD4DRD2DRD3
SCHEMBL29236607 0.79 ALDH1A1 (0.54) HTR7ALDH1A1HPGDADRA1DADRA1A
SCHEMBL20510979 0.79 ALDH1A1 (0.69) HTR7ALDH1A1HTR1BDRD4DRD2
SCHEMBL32675853 0.79 HTR7 (0.73) HTR7ALDH1A1HTR1BDRD4DRD2
SCHEMBL32675860 0.79 HTR7 (0.69) HTR7ALDH1A1HTR1BDRD4DRD2
SCHEMBL6672805 0.78 F2 (0.68) HTR7HTR1BDRD4DRD2DRD3
SCHEMBL8725186 0.78 DRD4 (0.61) HTR7ALDH1A1HTR1BDRD4DRD2
SCHEMBL29580493 0.76 GBA1 (0.50) HTR7HTR1BDRD4DRD2DRD3
SCHEMBL8577706 0.76 MAPT (0.64) ALDH1A1HPGDNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2062854-A None JP disclosed
JP-8073418-A None JP disclosed
JP-3005476-A None JP disclosed
JP-H0873418-A SUBSTITUTED PHENOXYACETALDEHYDE OXIMES UBE IND LTD 1996-03-19 JP disclosed
EP-0357310-B1 Process for producing substituted phenoxyethylamines and intermediates UBE INDUSTRIES (JP) 1994-03-02 EP disclosed
US-5030755-A Process for producing substituted phenoxyethylamines and intermediates UBE INDUSTRIES LTD. (JP) 1991-07-09 US disclosed
US-4985596-A FROM PHENOXYACETALDEHYDE DIALKYL ACETAL AND A HYDROXYLAMINE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
JP-H035476-A 4-AZIRIDINYLPYRIMIDINE DERIVATIVE AND ITS PRODUCTION UBE IND LTD 1991-01-11 JP disclosed
EP-0357310-A1 Process for producing substituted phenoxyethylamines and intermediates UBE INDUSTRIES, LTD. (JP) 1990-03-07 EP disclosed
JP-H0262854-A PRODUCTION OF SUBSTITUTED PHENOXYETHYLAMINES UBE IND LTD 1990-03-02 JP disclosed
EP-0057440-B1 AMINOPYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND FUNGICIDAL, INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-05-22 EP disclosed