SCHEMBL31328459

SCHEMBL31328459

c1ccc(CN2CCCOC(CN3CCC(c4c[nH]c5ccccc45)CC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.55
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
OPRL1 P41146 1/20 0.55
CYP2D6 P10635 1/20 0.54
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
CHRM4 P08173 1/20 0.52
HDAC1 Q13547 2/20 0.49
KCNH2 Q12809 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL7943390 0.84 OPRM1 (0.66) ADRA1DOPRM1OPRK1OPRL1CYP2D6
SCHEMBL9032088 0.83 OPRM1 (0.75) ADRA1DOPRM1OPRK1OPRL1CYP2D6
SCHEMBL31328431 0.82 DRD4 (0.48) OPRL1CYP2D6DRD2DRD4DRD3
SCHEMBL31328435 0.81 CCR5 (0.57) CYP2D6DRD2DRD4DRD3
SCHEMBL31328423 0.81 DRD4 (0.47) CYP2D6DRD2DRD4DRD3
SCHEMBL31328434 0.81 DRD4 (0.47) CYP2D6DRD2DRD4DRD3
SCHEMBL31328433 0.81 DRD4 (0.47) CYP2D6DRD2DRD4DRD3CHRM4
SCHEMBL31328447 0.81 DRD4 (0.47) CYP2D6DRD2DRD4DRD3
SCHEMBL31328419 0.78 MEN1 (0.57) CYP2D6DRD4CHRM4
SCHEMBL31328443 0.77 CCR5 (0.49) CYP2D6DRD4

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-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