SCHEMBL8994839

SCHEMBL8994839

Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc4c(c3)OCO4)CC1)c1ccccc1O2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.67
DRD1 P21728 4/20 0.67
HRH4 Q9H3N8 7/20 0.62
DRD4 P21917 4/20 0.62
HTR1A P08908 5/20 0.61
HTR2A P28223 3/20 0.61
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.55
HRH2 P25021 2/20 0.53
HRH1 P35367 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
HTR3A P46098 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
ADRA2A P08913 3/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
SLC6A2 P23975 2/20 0.52

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
SCHEMBL8928151 0.89 DRD4 (0.76) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL29623704 0.86 DRD2 (0.90) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL8204163 0.86 DRD2 (0.64) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL8928035 0.84 HRH4 (0.62) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL8204367 0.83 DRD1 (0.55) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL8928029 0.82 DRD4 (0.61) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL8204496 0.82 DRD2 (0.77) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL8203868 0.81 DRD2 (0.76) DRD2DRD1HRH4DRD4HTR1A
SCHEMBL4192075 0.81 HRH4 (0.83) DRD2DRD1HRH4DRD4HTR1A
Hydrochloric Acid SCHEMBL3838758 0.80 HRH4 (0.81) DRD2DRD1HRH4DRD4HTR1A

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
US-5538965-A TREATMENT OF PSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-07-23 US claimed