SCHEMBL8539201

SCHEMBL8539201

CC(C)N(CCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.54
KCNH2 Q12809 4/20 0.54
OPRK1 P41145 2/20 0.54
LMNA P02545 1/20 0.54
NR1I2 O75469 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CNR1 P21554 1/20 0.54
PDE4D Q08499 1/20 0.54
GHSR Q92847 1/20 0.54
OPRD1 P41143 1/20 0.48
DRD3 P35462 9/20 0.47
DRD2 P14416 7/20 0.47
HRH2 P25021 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
USP2 O75604 2/20 0.47
CHRM2 P08172 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA1A P35348 2/20 0.47
CYP2D6 P10635 2/20 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
SCHEMBL8537394 0.88 DRD3 (0.51) HRH1KCNH2OPRK1LMNAADORA3
SCHEMBL8538112 0.84 DRD3 (0.44) HRH1KCNH2OPRK1LMNAADORA3
SCHEMBL8536410 0.83 DRD3 (0.46) HRH1KCNH2OPRK1LMNANR1I2
SCHEMBL8541398 0.82 P2RX7 (0.51) OPRD1DRD3DRD2
SCHEMBL8537432 0.81 HRH1 (0.57) HRH1KCNH2OPRK1LMNANR1I2
SCHEMBL8540422 0.75 ACHE (0.46) HRH1LMNADRD3DRD2HTR2A
SCHEMBL19622390 0.73 HRH1 (0.53) HRH1KCNH2OPRK1LMNANR1I2
SCHEMBL8538813 0.73 HRH1 (0.51) HRH1KCNH2OPRK1LMNAADORA3
SCHEMBL7670965 0.73 DRD3 (0.72) HRH1KCNH2OPRK1LMNADRD3
Buclizine SCHEMBL123752 0.71 KCNH2 (1.00) HRH1KCNH2OPRK1LMNANR1I2

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 4 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-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