SCHEMBL8540422

SCHEMBL8540422

Cc1ccc(O)c(N(CCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.46
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
ALOX5 P09917 5/20 0.41
HRH1 P35367 5/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
DRD3 P35462 2/20 0.40
P2RX7 Q99572 1/20 0.40
MC4R P32245 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL8538112 0.90 DRD3 (0.44) ADRA1AHRH1DRD2DRD4HTR2A
SCHEMBL8541398 0.90 P2RX7 (0.51) ALOX5DRD2DRD3P2RX7
SCHEMBL8537394 0.87 DRD3 (0.51) ADRA1AHRH1DRD2DRD4HTR2A
SCHEMBL8541391 0.78 ACHE (0.49) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL8541258 0.77 P2RX7 (0.55) ALOX5HTR7P2RX7
SCHEMBL8539201 0.75 HRH1 (0.54) ADRA1AHRH1DRD2DRD4HTR2A
SCHEMBL22252849 0.72 ACHE (0.78) ACHEADRA1AADRA1BHRH1DRD2
SCHEMBL8536410 0.72 DRD3 (0.46) ADRA1AALOX5HRH1DRD2DRD4
SCHEMBL8541786 0.71 HRH1 (0.56) ADRA1AADRA1BHRH1DRD2HTR2A
SCHEMBL22252847 0.70 ACHE (0.66) ACHEADRA1AADRA1BHRH1DRD2

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