SCHEMBL8690225

SCHEMBL8690225

O=C(O)CC1CCN(CCOC2c3ccccc3Oc3ccccc32)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
KCNA3 P22001 1/20 0.43
SLC6A1 P30531 1/20 0.42
CCR1 P32246 4/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL8716401 0.85 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8685369 0.85 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8712827 0.85 LTA4H (0.46) LTA4HSLC6A1
SCHEMBL8690299 0.84 LTA4H (0.45) LTA4HSLC6A1CHRM2CHRM1CHRM3
SCHEMBL8715371 0.80 SLC6A1 (0.62) SLC6A1
SCHEMBL7471275 0.74 SLC6A1 (0.55) SLC6A1
SCHEMBL8712871 0.74 LTA4H (0.57) LTA4HSLC6A1
SCHEMBL8934806 0.72 SLC6A1 (0.53) SLC6A1
Acetic Acid SCHEMBL7473986 0.72 SLC6A1 (0.53) SLC6A1
SCHEMBL6628169 0.72 CCR3 (0.59) LTA4H

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