SCHEMBL8685369

SCHEMBL8685369

O=C(O)CC1CCN(CCOC2c3ccccc3Cc3ccccc32)C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
HTR2B P41595 3/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
S1PR5 Q9H228 1/20 0.37
SLC6A1 P30531 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
SCHEMBL8712827 0.93 LTA4H (0.46) LTA4HHRH1SLC6A1
SCHEMBL8690299 0.88 LTA4H (0.45) LTA4HHTR2AHRH1HTR2BHTR2C
SCHEMBL8716401 0.86 LTA4H (0.46) LTA4HALDH1A1KMT2AS1PR5SLC6A1
SCHEMBL8690225 0.85 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8712871 0.81 LTA4H (0.57) LTA4HSLC6A1
SCHEMBL8718182 0.80 SLC6A1 (0.59) SLC6A1
SCHEMBL8718270 0.74 SLC6A1 (0.43) SLC6A1
SCHEMBL9084665 0.74 SLC6A1 (0.67) SLC6A1
SCHEMBL8718619 0.74 LTA4H (0.52) LTA4HSLC6A1
Hydrochloric Acid SCHEMBL9084393 0.73 SLC6A1 (0.66) 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 6 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
US-5721260-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACID OR ESTER; ANALGESICS, ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-02-24 US 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
US-5721260-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACID OR ESTER; ANALGESICS, ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-02-24 US disclosed
WO-1996031468-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed