SCHEMBL8715436

SCHEMBL8715436

CN1CCN(CCOC2c3ccccc3CCc3ccccc32)CC(C(=O)O)C1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.47

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
SCHEMBL8716102 0.85 SLC6A1 (0.65) SLC6A1
SCHEMBL8718619 0.82 LTA4H (0.52) SLC6A1
SCHEMBL8715531 0.79 HTR2C (0.44)
SCHEMBL8718182 0.79 SLC6A1 (0.59) SLC6A1
SCHEMBL8712827 0.79 LTA4H (0.46) SLC6A1
SCHEMBL8714604 0.78 SLC6A1 (0.41) SLC6A1
SCHEMBL8718270 0.78 SLC6A1 (0.43) SLC6A1
SCHEMBL8712871 0.76 LTA4H (0.57) SLC6A1
SCHEMBL8717944 0.76 LTA4H (0.44) SLC6A1
SCHEMBL8934773 0.76 SLC6A1 (0.53) 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 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