SCHEMBL8912322

SCHEMBL8912322

OCCCCCCN(Cc1ccccc1)c1ccnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRA1A P35348 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL8907542 0.87 HRH3 (0.45) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8906886 0.87 HRH3 (0.45) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8912787 0.79 HRH3 (0.60) HRH3KDM4ELMNASMN1; SMN2MAPT
SCHEMBL10650134 0.73 TSHR (0.52) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL10653978 0.73 TSHR (0.52) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL30307401 0.72 HRH3 (0.53) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL10649397 0.71 TSHR (0.53) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL7504362 0.70 HRH3 (0.57) HRH3LMNAHTTKMT2AADRA1A
SCHEMBL5073627 0.68 HRH3 (0.44) HRH3ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL14359324 0.68 HRH3 (0.60) HRH3KDM4EALDH1A1MAPTADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed