SCHEMBL9028313

SCHEMBL9028313

c1ccc2[nH]c(CCC(CCN3CCOCC3)Cc3cc4ccccc4[nH]3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
CHRNA7 P36544 2/20 0.49
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HRH4 Q9H3N8 1/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
VCP P55072 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9027275 0.88 HRH3 (0.67) HRH3CHRNA7HSD17B10KDM4EHRH4
SCHEMBL9027604 0.81 HRH3 (0.48) HRH3CHRNA7HRH4DRD2DRD3
SCHEMBL9027107 0.78 HRH3 (0.66) HRH3CHRNA7HSD17B10KDM4EHRH4
SCHEMBL9026162 0.76 HRH3 (0.63) HRH3CHRNA7HSD17B10KDM4EHRH4
SCHEMBL9026529 0.76 HRH3 (0.59) HRH3CHRNA7HSD17B10KDM4EHRH4
SCHEMBL9026144 0.75 HRH3 (0.46) HRH3CHRNA7ALDH1A1HRH4
SCHEMBL31061131 0.71 HRH3 (1.00) HRH3CHRNA7HSD17B10KDM4EHRH4
SCHEMBL9028305 0.71 HRH3 (0.53) HRH3CHRNA7ALDH1A1HSD17B10KDM4E
SCHEMBL27759801 0.70 ALDH1A1 (0.43) HRH3CHRNA7ALDH1A1HSD17B10KDM4E
SCHEMBL10508496 0.70 HRH3 (0.97) HRH3CHRNA7HSD17B10KDM4EHRH4

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