SCHEMBL9027604

SCHEMBL9027604

c1ccc2c(c1)CCN(CCC(CCc1cc3ccccc3[nH]1)Cc1cc3ccccc3[nH]1)C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
HRH1 P35367 2/20 0.45
HRH4 Q9H3N8 1/20 0.44
DRD4 P21917 1/20 0.44
CHRNA7 P36544 2/20 0.44
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DPP4 P27487 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9027181 0.87 KDM4E (0.43) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL9027275 0.83 HRH3 (0.67) HRH3DRD2DRD3HRH4CHRNA7
SCHEMBL9028313 0.81 HRH3 (0.54) HRH3DRD2DRD3HRH4CHRNA7
SCHEMBL9026144 0.79 HRH3 (0.46) HRH3HRH4CHRNA7
SCHEMBL8681907 0.77 DRD2 (0.68) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL9027596 0.73 DRD2 (0.48) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL9027107 0.73 HRH3 (0.66) HRH3DRD2DRD3HRH4CHRNA7
SCHEMBL9026162 0.71 HRH3 (0.63) HRH3DRD2DRD3HRH4CHRNA7
SCHEMBL9026529 0.71 HRH3 (0.59) HRH3DRD2DRD3HTR7HRH4
SCHEMBL8681473 0.70 HRH4 (0.68) HRH3DRD2DRD3HRH4DRD4

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