SCHEMBL9026529

SCHEMBL9026529

c1ccc2[nH]c(CCC(CCN3CCCC3)Cc3[nH]c4ccccc4c3CCN3CCCC3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.59
HTR2A P28223 4/20 0.47
HTR2C P28335 2/20 0.47
DRD2 P14416 2/20 0.47
CHRNA7 P36544 3/20 0.46
BCHE P06276 1/20 0.45
HRH4 Q9H3N8 1/20 0.39
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD3 P35462 1/20 0.35

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
SCHEMBL9027042 0.89 HRH3 (0.56) HRH3HTR2AHTR2CDRD2CHRNA7
SCHEMBL9027181 0.87 KDM4E (0.43) HRH3HTR2ADRD2CHRNA7BCHE
SCHEMBL9027275 0.84 HRH3 (0.67) HRH3DRD2CHRNA7HRH4KDM4E
SCHEMBL9223276 0.83 HRH3 (0.67) HRH3HTR2AHTR2CDRD2CHRNA7
SCHEMBL9027269 0.82 HRH3 (0.65) HRH3HTR2AHTR2CDRD2CHRNA7
SCHEMBL9027015 0.82 HRH3 (0.39) HRH3HTR2CCHRNA7BCHEHRH4
SCHEMBL9026157 0.81 HRH3 (0.64) HRH3HTR2AHTR2CDRD2CHRNA7
SCHEMBL9027094 0.81 HRH3 (0.64) HRH3HTR2AHTR2CDRD2CHRNA7
SCHEMBL9027107 0.79 HRH3 (0.66) HRH3DRD2CHRNA7BCHEHRH4
SCHEMBL9026162 0.77 HRH3 (0.63) HRH3DRD2CHRNA7BCHEHRH4

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 3 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-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