SCHEMBL2332233

SCHEMBL2332233

NC(=O)CC1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.46
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR6 P50406 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
IDO1 P14902 3/20 0.42
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
NQO2 P16083 3/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
TDO2 P48775 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8138050 0.87 HTR7 (0.48) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL1543064 0.83 HTR7 (0.51) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL2201343 0.81 HTR7 (0.59) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL2337261 0.80 MAPT (0.42) IDO1ALDH1A1POLBBLMNQO2
SCHEMBL9651965 0.79 HTR7 (0.54) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL28573199 0.78 IDO1 (0.64) IDO1ALDH1A1POLBBLMTDO2
SCHEMBL18854022 0.78 PGR (0.56) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL2988221 0.78 PGR (0.56) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL10505472 0.78 IDO1 (0.39) IDO1ALDH1A1POLBBLMNQO2
SCHEMBL14996404 0.76 HTR7 (0.54) HTR7DRD2DRD1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533645-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2012-12-19 EP disclosed
WO-2011100373-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-18 WO disclosed