SCHEMBL9027596

SCHEMBL9027596

c1ccc2c(c1)CCN(CCc1c(CCCCc3cc4ccccc4[nH]3)[nH]c3ccccc13)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
HRH1 P35367 2/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
CHRNA7 P36544 2/20 0.43
KCNH2 Q12809 2/20 0.42
HDAC1 Q13547 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
DRD4 P21917 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
SCHEMBL9027173 0.89 HTR1A (0.58) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL9223276 0.85 HRH3 (0.67) DRD2DRD3HTR7HTR2AKDM4E
SCHEMBL9027181 0.85 KDM4E (0.43) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL9027269 0.84 HRH3 (0.65) DRD2HTR7HTR2AKDM4EKMT2A
SCHEMBL9026157 0.83 HRH3 (0.64) DRD2HTR7HTR2AKDM4EKMT2A
SCHEMBL9027094 0.83 HRH3 (0.64) DRD2HTR7HTR2AKDM4EKMT2A
SCHEMBL9028305 0.82 HRH3 (0.53) DRD2HTR7HTR2AKDM4EHRH3
SCHEMBL9026137 0.80 HRH3 (0.43) HTR7MAPTKMT2ATAAR1HRH3
SCHEMBL8681907 0.74 DRD2 (0.68) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL9027042 0.74 HRH3 (0.56) DRD2HTR7HTR2AKDM4EKMT2A

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-0537532-B1 2,2'-Alkylenediindole derivatives, process for their production, medicines containing them and their use as anti-ulcer agents NISSHIN FLOUR MILLING CO (JP) 1996-11-27 EP disclosed
US-5380723-A Antiulcer NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-01-10 US disclosed
US-5326879-A Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-07-05 US disclosed
EP-0537532-A1 2,2'-Alkylenediindole derivatives, process for their production, medicines containing them and their use as anti-ulcer agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-04-21 EP disclosed