SCHEMBL9051399

SCHEMBL9051399

O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.80
HRH1 P35367 11/20 0.80
DRD3 P35462 11/20 0.80
HTR1A P08908 10/20 0.80
HTR2A P28223 8/20 0.80
DRD4 P21917 7/20 0.80
HTR2C P28335 4/20 0.80
ADRA1A P35348 2/20 0.80
ADRA2A P08913 1/20 0.80
ADRA2B P18089 1/20 0.80
ADRA2C P18825 1/20 0.80
ADRA1B P35368 1/20 0.80
SLC6A4 P31645 6/20 0.62
HTR7 P34969 6/20 0.62
HTR2B P41595 6/20 0.62
SLC6A3 Q01959 4/20 0.57
TMEM97 Q5BJF2 4/20 0.57
SIGMAR1 Q99720 4/20 0.57
SLC6A2 P23975 3/20 0.57
DRD1 P21728 2/20 0.57

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
SCHEMBL9050578 0.89 DRD2 (1.00) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL9052209 0.80 DRD2 (0.64) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL9050736 0.78 DRD2 (1.00) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL9911015 0.76 DRD2 (0.76) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL9053117 0.73 DRD2 (0.77) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL9051391 0.73 DRD2 (0.58) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL8986040 0.72 DRD2 (0.87) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL8986015 0.72 DRD2 (0.82) DRD2HRH1DRD3HTR1AHTR2A
SCHEMBL3278959 0.71 DRD2 (0.61) DRD2HRH1DRD3HTR1AHTR2A
Chlorohaloperidol SCHEMBL4112719 0.71 DRD2 (1.00) DRD2HRH1DRD3HTR1AHTR2A

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-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed