SCHEMBL8718619

SCHEMBL8718619

O=C(O)C1CCN(CCOC2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
SLC6A1 P30531 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9091762 0.86 LTA4H (0.47) LTA4HSLC6A1
SCHEMBL9093322 0.86 LTA4H (0.47) LTA4HSLC6A1
SCHEMBL8716102 0.86 SLC6A1 (0.65) SLC6A1
SCHEMBL9093457 0.85 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8715531 0.84 HTR2C (0.44)
SCHEMBL8715436 0.82 SLC6A1 (0.47) SLC6A1
SCHEMBL8718270 0.82 SLC6A1 (0.43) SLC6A1
SCHEMBL8712827 0.81 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8718182 0.79 SLC6A1 (0.59) SLC6A1
SCHEMBL8717944 0.78 LTA4H (0.44) LTA4HSLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820442-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031474-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed