SCHEMBL3784146

SCHEMBL3784146

Fc1cc(OC2CCNCC2)c2ncccc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 2/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 2/20 0.43
NMT1 P30419 2/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
ROCK1 Q13464 2/20 0.42
LCK P06239 1/20 0.42
HRH1 P35367 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
IRAK1 P51617 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 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
SCHEMBL3781660 0.85 TMEM97 (0.55) HTR1ASLC6A2TMEM97SIGMAR1SLC6A4
SCHEMBL3715640 0.83 DDB1 (0.53) HTR1ASLC6A2SLC6A3SLC6A4HRH1
SCHEMBL3713864 0.82 HRH1 (0.50) HRH1
SCHEMBL3787692 0.80 IRAK4 (0.46) HTR1ASLC6A2TMEM97SIGMAR1SLC6A4
SCHEMBL3790744 0.80 HRH1 (0.48) HRH1
SCHEMBL3786278 0.80 HRH1 (0.53) NMT1HRH1
SCHEMBL1148343 0.78 HRH1 (0.64) HRH1
SCHEMBL13137148 0.78 CHRNB2 (0.45) HTR1ASLC6A2IKBKBCHUKIRAK4
SCHEMBL1148340 0.78 HRH1 (0.60) HRH1
SCHEMBL3051097 0.77 HRH1 (0.59) HRH1

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-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed