SCHEMBL31328443

SCHEMBL31328443

Brc1ccc(C2CCN(CC3CN(Cc4ccccc4)CCCO3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.49
TLR9 Q9NR96 1/20 0.48
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
DRD4 P21917 4/20 0.47
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC18A3 Q16572 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL31328435 0.92 CCR5 (0.57) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328419 0.90 MEN1 (0.57) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328405 0.89 DRD4 (0.56) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328445 0.89 CCR5 (0.49) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328411 0.89 TLR9 (0.52) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328421 0.89 DRD2 (0.56) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328454 0.88 DRD2 (0.49) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328426 0.87 CCR5 (0.49) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328416 0.86 DRD4 (0.58) CCR5TLR9TLR8TLR7DRD4
SCHEMBL31328422 0.85 DRD4 (0.61) CCR5TLR9TLR8TLR7DRD4

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