SCHEMBL31328447

SCHEMBL31328447

Oc1ccccc1C1CCN(CC2CN(Cc3ccccc3)CCCO2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 2/20 0.47
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PDE8B O95263 1/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL31328431 0.88 DRD4 (0.48) DRD4DRD2DRD3ALDH1A1MEN1
SCHEMBL31328434 0.87 DRD4 (0.47) DRD4DRD2DRD3ALDH1A1MEN1
SCHEMBL31328423 0.87 DRD4 (0.47) DRD4DRD2DRD3ALDH1A1MEN1
SCHEMBL31328433 0.87 DRD4 (0.47) DRD4DRD2DRD3ALDH1A1MEN1
SCHEMBL31328435 0.85 CCR5 (0.57) DRD4DRD2DRD3ALDH1A1MEN1
SCHEMBL31328421 0.84 DRD2 (0.56) DRD4DRD2DRD3BCHEACHE
SCHEMBL31328439 0.82 TLR9 (0.53) DRD4DRD2DRD3ALDH1A1ACHE
SCHEMBL31328412 0.82 DRD2 (0.67) DRD4DRD2DRD3TLR9TLR8
SCHEMBL31328419 0.81 MEN1 (0.57) DRD4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL31328415 0.81 DRD4 (0.56) DRD4DRD2DRD3MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731223-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY Universitat De Barcelona (ES) 2026-04-29 EP claimed
WO-2024261340-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY UNIVERSITAT DE BARCELONA (ES) 2024-12-26 WO claimed
EP-4731223-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY Universitat De Barcelona (ES) 2026-04-29 EP disclosed
WO-2024261340-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY UNIVERSITAT DE BARCELONA (ES) 2024-12-26 WO disclosed