SCHEMBL9422271

SCHEMBL9422271

O=C(c1nc2ccccc2[nH]1)N1CCCNCCC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.69
PDE10A Q9Y233 13/20 0.55
RBP4 P02753 1/20 0.55
PARP1 P09874 1/20 0.52
DRD3 P35462 1/20 0.52
LANCL2 Q9NS86 1/20 0.51

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
SCHEMBL6665105 0.92 HRH4 (0.72) HRH4PDE10ARBP4PARP1DRD3
SCHEMBL22718876 0.91 HRH4 (0.76) HRH4PDE10ARBP4DRD3
Hydrochloric Acid SCHEMBL2238748 0.90 HRH4 (0.71) HRH4PDE10ARBP4PARP1DRD3
SCHEMBL9832108 0.90 HRH4 (0.74) HRH4PDE10ARBP4DRD3
SCHEMBL30358191 0.90 HRH4 (0.74) HRH4PDE10ARBP4DRD3
SCHEMBL602036 0.83 HRH4 (0.90) HRH4PDE10ADRD3
SCHEMBL18889258 0.82 ALDH1A1 (0.72) HRH4PDE10ARBP4
SCHEMBL604426 0.82 HRH4 (1.00) HRH4PDE10ARBP4DRD3
SCHEMBL602694 0.79 HRH4 (0.63) HRH4PDE10ARBP4
SCHEMBL20827228 0.78 HRH4 (0.66) HRH4PDE10ARBP4

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
JP-6329641-A None JP disclosed
JP-H06329641-A 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE KISSEI PHARMACEUT CO LTD 1994-11-29 JP disclosed