SCHEMBL9511299

SCHEMBL9511299

BrCCCCCCOCCCCc1cc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 6/20 0.40
DRD3 P35462 3/20 0.40
DRD1 P21728 2/20 0.40
HTR2B P41595 8/20 0.40
MAPT P10636 1/20 0.39
GLS O94925 1/20 0.39
DRD5 P21918 1/20 0.37
MAOB P27338 1/20 0.37
HTR1A P08908 3/20 0.37

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
SCHEMBL9510811 0.94 AGXT (0.45) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL9510780 0.94 AGXT (0.45) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL6214405 0.85 LOXL2 (0.56) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL4048647 0.78 LOXL2 (0.60) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL5542824 0.77 AGXT (0.45) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL2088773 0.75 LOXL2 (0.53) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL8688187 0.75 MAPT (0.63) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL7796043 0.75 LOXL2 (0.62) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL19813189 0.75 MAPT (0.63) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2
SCHEMBL11243675 0.75 MAPT (0.63) AGXTLOXL2SMN1; SMN2L3MBTL1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322164-B1 ETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-22 EP disclosed
US-5039697-A Adrenergic stimulants, bronchodilators GLAXO GROUP LIMITED (GB) 1991-08-13 US disclosed
US-5032609-A Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1991-07-16 US disclosed
US-5002966-A Adrenergic Stimulants GLAXO GROUP LIMITED (GB) 1991-03-26 US disclosed
EP-0322164-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-06-28 EP disclosed