SCHEMBL8540076

SCHEMBL8540076

Cc1ccc(O)c(NCCCN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.53
DRD2 P14416 8/20 0.53
HRH1 P35367 5/20 0.53
KCNH2 Q12809 4/20 0.53
USP2 O75604 3/20 0.53
HRH2 P25021 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
CHRM2 P08172 3/20 0.53
ADRA2A P08913 3/20 0.53
ADRA1A P35348 3/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
ADRA2C P18825 2/20 0.53
DRD4 P21917 2/20 0.53
OPRK1 P41145 2/20 0.53
CHRM1 P11229 2/20 0.53

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
SCHEMBL9423729 0.96 DRD3 (0.53) DRD3DRD2HRH1KCNH2USP2
SCHEMBL8537572 0.96 DRD3 (0.47) DRD3DRD2HRH1KCNH2USP2
SCHEMBL8537793 0.94 P2RX7 (0.53) DRD3DRD2HTR2AP2RX7
SCHEMBL8537432 0.88 HRH1 (0.57) DRD3DRD2HRH1KCNH2USP2
SCHEMBL8541391 0.86 ACHE (0.49) DRD3DRD2HTR2AADRA1ADRD4
SCHEMBL8536653 0.84 DRD3 (0.50) DRD3DRD2HRH1KCNH2USP2
SCHEMBL8536534 0.82 BCHE (0.53) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL8537394 0.80 DRD3 (0.51) DRD3DRD2HRH1KCNH2USP2
SCHEMBL9702546 0.78 DRD3 (0.47) DRD3DRD2HRH1KCNH2USP2
SCHEMBL7283745 0.77 DRD3 (0.50) DRD3DRD2HRH1KCNH2USP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508334-B1 Novel aminophenol derivatives and pharmaceutical compositions thereof GREEN CROSS CORP (JP) 1998-01-07 EP claimed
US-5308840-A Antioxidants, antiallergens and antiinflammatory agents GREEN CROSS CORPORATION (JP) 1994-05-03 US claimed
EP-0508334-A2 Novel aminophenol derivatives and pharmaceutical compositions thereof THE GREEN CROSS CORPORATION (JP) 1992-10-14 EP claimed
EP-0508334-B1 Novel aminophenol derivatives and pharmaceutical compositions thereof GREEN CROSS CORP (JP) 1998-01-07 EP disclosed
US-5308840-A Antioxidants, antiallergens and antiinflammatory agents GREEN CROSS CORPORATION (JP) 1994-05-03 US disclosed
EP-0508334-A2 Novel aminophenol derivatives and pharmaceutical compositions thereof THE GREEN CROSS CORPORATION (JP) 1992-10-14 EP disclosed