SCHEMBL8712827

SCHEMBL8712827

O=C(O)CC1CCN(CCOC2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
SLC6A1 P30531 1/20 0.41
HRH1 P35367 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8685369 0.93 LTA4H (0.46) LTA4HSLC6A1HRH1
SCHEMBL8712871 0.88 LTA4H (0.57) LTA4HSLC6A1SIGMAR1
SCHEMBL8690299 0.88 LTA4H (0.45) LTA4HSLC6A1HRH1
SCHEMBL8716401 0.86 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8690225 0.85 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8718619 0.81 LTA4H (0.52) LTA4HSLC6A1
SCHEMBL8718270 0.81 SLC6A1 (0.43) SLC6A1SIGMAR1
SCHEMBL8715531 0.80 HTR2C (0.44)
SCHEMBL8716102 0.80 SLC6A1 (0.65) SLC6A1
SCHEMBL8718374 0.79 CYP2D6 (0.45) SLC6A1

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-0825981-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-03-04 EP claimed
WO-1996031468-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed
EP-0825981-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-03-04 EP disclosed
WO-1996031468-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed