SCHEMBL10909170

SCHEMBL10909170

NCCCOC(CCCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
HTR2A P28223 2/20 0.44
HRH1 P35367 1/20 0.44
IDO1 P14902 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
SLC7A5 Q01650 5/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL10911286 0.84 SIGMAR1 (0.42) IDO1SIGMAR1TP53CYP1A2CYP2D6
SCHEMBL6688655 0.82 HRH1 (0.44) MAOAHTR2AHRH1SLC7A5
SCHEMBL27568690 0.81 IDO1 (0.43) IDO1SIGMAR1TP53CYP1A2CYP2D6
SCHEMBL10911204 0.81 KMT2A (0.54) HTR2AHRH1SIGMAR1TP53CYP1A2
SCHEMBL10913445 0.81 SIGMAR1 (0.53) HTR2AHRH1SIGMAR1CYP1A2CYP2D6
SCHEMBL7263992 0.80 CHRNB2 (0.51) HTR2AHRH1SLC7A5
SCHEMBL10911293 0.80 SIGMAR1 (0.55) HTR2AHRH1SIGMAR1CYP1A2CYP2D6
SCHEMBL10911235 0.80 SIGMAR1 (0.55) MAOASIGMAR1MAPT
SCHEMBL27948884 0.79 SLC6A2 (0.44) IDO1SIGMAR1TP53CYP1A2CYP2D6
SCHEMBL10909185 0.79 SLC6A2 (0.55) HTR2AHRH1SIGMAR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4620036-A Diphenylalkanoether and diphenylalkanone oximeether derivatives ONO KEIICHI (JP) 1986-10-28 US disclosed
US-4602023-A Diphenic acid monoamides WARNER-LAMBERT COMPANY (US) 1986-07-22 US disclosed
EP-0017217-B1 DIPHENYLALKANOETHER AND DIPHENYLALKANONE OXIMEETHER DERIVATIVES, A PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-03-13 EP disclosed
US-4482573-A Diphenylalkanoether and diphenylalkanone oximeether derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-13 US disclosed
US-4459410-A Diphenylalkanoether derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-07-10 US disclosed
US-4426394-A Diphenylalkanoether and diphenylalkanone oximeether derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1984-01-17 US disclosed
US-4388469-A Diphenylalkanoether and diphenylalkanone oximeether derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-14 US disclosed
EP-0017217-A2 Diphenylalkanoether and diphenylalkanone oximeether derivatives, a process for their production, pharmaceutical compositions and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-15 EP disclosed