SCHEMBL9753196

SCHEMBL9753196

O=[N+]([O-])c1ccc(OCCCCNCc2cnc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
LMNA P02545 3/20 0.52
RAB9A P51151 3/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 2/20 0.46
KCNH2 Q12809 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.43
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL9739211 0.87 DRD2 (0.56) DRD2DRD4DRD3LMNAHTT
SCHEMBL9736899 0.82 MAPT (0.43) DRD2DRD4DRD3LMNARAB9A
SCHEMBL9736462 0.77 KCNH2 (0.58) DRD2DRD4DRD3LMNARAB9A
SCHEMBL9732661 0.73 RAB9A (0.47) DRD2DRD4DRD3LMNARAB9A
SCHEMBL28180985 0.72 DRD2 (0.77) DRD2DRD4DRD3LMNAKCNH2
Hydrochloric Acid SCHEMBL8055388 0.72 DRD2 (0.97) DRD2DRD4DRD3LMNARAB9A
SCHEMBL28181096 0.70 DRD2 (0.74) DRD2DRD4DRD3LMNAKCNH2
SCHEMBL28180993 0.70 DRD2 (0.74) DRD2DRD4DRD3LMNAKCNH2
SCHEMBL28180196 0.70 DRD2 (0.74) DRD2DRD4DRD3LMNAKCNH2
SCHEMBL10556391 0.70 HRH3 (0.69) DRD2DRD4DRD3LMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991009023-A1 N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-27 WO disclosed