SCHEMBL14996404

SCHEMBL14996404

CCCC1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.54
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR6 P50406 1/20 0.52
NQO2 P16083 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PGR P06401 1/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
IDO1 P14902 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL2201343 0.90 HTR7 (0.59) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL18854022 0.87 PGR (0.56) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL2988221 0.87 PGR (0.56) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL9651965 0.84 HTR7 (0.54) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL12225622 0.84 HTR7 (0.51) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL1543064 0.82 HTR7 (0.51) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL1455904 0.81 HTR7 (0.60) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL10264450 0.80 HDAC1 (0.56) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL8138050 0.77 HTR7 (0.48) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL7041168 0.77 IDO1 (0.70) HTR7DRD2MAPTIDO1

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
US-8455535-B2 Heteroaryl dihydroindolones as kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed