SCHEMBL9027129

SCHEMBL9027129

c1ccc2[nH]c(CCCC(CCc3cc4ccccc4[nH]3)(CCN3CCCCC3)CCN3CCCCC3)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.66
CHRNA7 P36544 2/20 0.50
HRH4 Q9H3N8 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
BCHE P06276 1/20 0.43
LMNA P02545 2/20 0.40
CHRM2 P08172 2/20 0.40
HTR1A P08908 2/20 0.40
CYP2D6 P10635 2/20 0.40
CHRM1 P11229 2/20 0.40
OPRM1 P35372 2/20 0.40
KCNH2 Q12809 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KDR P35968 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 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
SCHEMBL9775955 0.83 HRH3 (0.78) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL10508496 0.82 HRH3 (0.97) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL31061131 0.80 HRH3 (1.00) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL8332622 0.78 HRH3 (0.65) HRH3CHRNA7HRH4CHRM2CHRM1
SCHEMBL3990045 0.77 HRH3 (0.63) HRH3CHRNA7HRH4CHRM2CHRM1
SCHEMBL9027107 0.76 HRH3 (0.66) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL9027275 0.75 HRH3 (0.67) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL9026162 0.74 HRH3 (0.63) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL9223267 0.74 HRH3 (0.66) HRH3CHRNA7HRH4KDM4EHSD17B10
SCHEMBL9027269 0.74 HRH3 (0.65) HRH3CHRNA7HRH4KDM4EHSD17B10

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