SCHEMBL8717944

SCHEMBL8717944

O=C(O)C1CN(CCOC2c3ccccc3CCc3ccccc32)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
SLC6A1 P30531 1/20 0.38
NTRK1 P04629 1/20 0.37
ACE P12821 1/20 0.35

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
SCHEMBL8718619 0.78 LTA4H (0.52) LTA4HSLC6A1
SCHEMBL8715934 0.78 HDAC3 (0.37) SLC6A1ACE
SCHEMBL8716102 0.77 SLC6A1 (0.65) SLC6A1
SCHEMBL8715531 0.77 HTR2C (0.44)
SCHEMBL5495884 0.76 SLC6A1 (0.47) LTA4HSLC6A1
SCHEMBL8718270 0.76 SLC6A1 (0.43) SLC6A1
SCHEMBL8715436 0.76 SLC6A1 (0.47) SLC6A1
SCHEMBL8714604 0.76 SLC6A1 (0.41) SLC6A1
SCHEMBL8712827 0.74 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8718074 0.74 ACE (0.40) ACE

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 claimed
WO-1996031474-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed