SCHEMBL9702546

SCHEMBL9702546

Cc1cccc(O)c1NCCCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.47
DRD2 P14416 8/20 0.47
HRH1 P35367 5/20 0.47
KCNH2 Q12809 4/20 0.47
HRH2 P25021 3/20 0.47
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
USP2 O75604 3/20 0.47
CHRM2 P08172 3/20 0.47
ADRA2A P08913 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA2C P18825 2/20 0.47
DRD4 P21917 2/20 0.47
OPRK1 P41145 2/20 0.47
CYP2D6 P10635 2/20 0.47
ABCB11 O95342 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR7 P34969 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL8537572 0.79 DRD3 (0.47) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL8540076 0.78 DRD3 (0.53) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL9423729 0.75 DRD3 (0.53) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL8537432 0.73 HRH1 (0.57) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL7670965 0.72 DRD3 (0.72) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL8536653 0.72 DRD3 (0.50) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL8540079 0.71 DRD3 (0.53) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL16769339 0.70 DRD3 (0.67) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL16769338 0.70 DRD3 (0.67) DRD3DRD2HRH1KCNH2HRH2
Hydrochloric Acid SCHEMBL10503557 0.70 DRD3 (0.69) DRD3DRD2HRH1KCNH2HRH2

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
EP-0508334-A2 Novel aminophenol derivatives and pharmaceutical compositions thereof THE GREEN CROSS CORPORATION (JP) 1992-10-14 EP claimed
EP-0508334-A2 Novel aminophenol derivatives and pharmaceutical compositions thereof THE GREEN CROSS CORPORATION (JP) 1992-10-14 EP disclosed