SCHEMBL8714604

SCHEMBL8714604

O=C(O)C1CN(CCOC2c3ccccc3CCc3ccccc32)CCO1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL9094232 0.88 LMNA (0.39) SLC6A1KDM4EALDH1A1LMNAMAPT
SCHEMBL9091831 0.88 DRD1 (0.36) SLC6A1GRIN2B
SCHEMBL9095238 0.87 SLC6A1 (0.37) SLC6A1ALDH1A1LMNAMAPTTSHR
SCHEMBL9229546 0.80 GRIN2B (0.34) SLC6A1GRIN2B
SCHEMBL8716102 0.79 SLC6A1 (0.65) SLC6A1
SCHEMBL8718619 0.78 LTA4H (0.52) SLC6A1L3MBTL1
SCHEMBL8715436 0.78 SLC6A1 (0.47) SLC6A1
SCHEMBL8718270 0.78 SLC6A1 (0.43) SLC6A1GRIN1GRIN2BSIGMAR1
SCHEMBL8712827 0.76 LTA4H (0.46) SLC6A1SIGMAR1
SCHEMBL8715531 0.76 HTR2C (0.44) LMNA

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