SCHEMBL11218481

SCHEMBL11218481

O=c1[nH]c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2[nH]1

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.89
DRD1 P21728 1/20 0.66
DRD3 P35462 4/20 0.65
HTR1A P08908 2/20 0.62
HTR2A P28223 2/20 0.62
HRH1 P35367 2/20 0.62
TMEM97 Q5BJF2 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL13160185 0.86 DRD2 (0.70) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL10665994 0.85 DRD2 (0.71) DRD2DRD1DRD3HTR1AHTR2A
SCHEMBL23097791 0.84 DRD2 (0.66) DRD2DRD1DRD3HTR1AHTR2A
SCHEMBL253846 0.84 DRD2 (0.90) DRD2DRD1DRD3
SCHEMBL10668573 0.83 DRD3 (0.71) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL6825803 0.82 DRD2 (1.00) DRD2DRD1DRD3
SCHEMBL722220 0.82 DRD2 (0.68) DRD2DRD1DRD3HTR1AHTR2A
SCHEMBL3410913 0.81 DRD2 (1.00) DRD2DRD1DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL10568463 0.81 DRD2 (0.66) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL252086 0.81 DRD2 (0.88) DRD2DRD1DRD3MAPT

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-57009769-A None JP disclosed
JP-S579769-A 2-BENZIMIDAZOLINONE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1982-01-19 JP disclosed