SCHEMBL725003

SCHEMBL725003

O=c1cc2ccccc2c(N2CCNCC2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.49
NCF1 P14598 4/20 0.49
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
HTR5A P47898 2/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
MTOR P42345 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL27515845 0.73 HTR6 (0.54) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL31521684 0.72 KDR (0.68) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL5564182 0.72 HTR6 (0.60) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL5124241 0.72 KDR (0.68) HTR6NCF1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL9128302 0.71 KDR (0.66) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL16678873 0.71 ALDH1A1 (0.52) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL5369146 0.68 HTR6 (0.68) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL12510593 0.67 HTR3E (0.54) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL18949726 0.67 HTR3E (0.58) HTR6NCF1HTR3EHTR3BHTR3A
SCHEMBL29385724 0.66 HTR6 (1.00) HTR6NCF1HTR3EHTR3BHTR3A

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-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed