SCHEMBL7370374

SCHEMBL7370374

NCCCCCCCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
MAOA P21397 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MGLL Q99685 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LTA4H P09960 2/20 0.56
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54

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
Hydrochloric Acid SCHEMBL7372068 0.98 MAOB (0.64) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL6037149 0.96 MAOB (0.66) MAOBGAAMAPTMAOARAB9A
SCHEMBL6505543 0.93 MAOB (0.65) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL8428235 0.91 MAOB (0.68) MAOBGAAMAPTMAOARAB9A
SCHEMBL7036584 0.91 MGLL (0.67) MAOBGAAMAPTMAOARAB9A
SCHEMBL5989617 0.90 MAOB (0.58) MAOBGAAMAPTMAOARAB9A
SCHEMBL11579595 0.87 LTA4H (0.72) MAOBGAAMAPTMAOARAB9A
SCHEMBL8035165 0.85 KCNA3 (0.73) HDAC6LTA4H
SCHEMBL8040666 0.85 KCNA3 (0.73) HDAC6LTA4H
SCHEMBL1643773 0.85 KCNA3 (0.73) HDAC6LTA4H

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-0724577-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP claimed
WO-1995011238-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO claimed
EP-0724577-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011238-A1 HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed