SCHEMBL28022651

SCHEMBL28022651

CC(C)(C)C(=O)ON1CCN(CCc2ccc(F)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.52
HTR2C P28335 19/20 0.52
KCNH2 Q12809 8/20 0.52
DRD2 P14416 5/20 0.48

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
SCHEMBL27787732 0.84 HTR2A (0.49) HTR2AHTR2CKCNH2
SCHEMBL27731418 0.79 LTA4H (0.52) DRD2
SCHEMBL12891507 0.77 HTR2A (0.62) HTR2AHTR2CKCNH2DRD2
SCHEMBL2548388 0.77 HTR2A (0.60) HTR2AHTR2CKCNH2DRD2
SCHEMBL27787800 0.75 HTR2A (0.56) HTR2AHTR2CKCNH2DRD2
SCHEMBL27787706 0.73 ALDH1A1 (0.51) HTR2AHTR2CKCNH2
SCHEMBL27721167 0.72 ALOX15 (0.45)
SCHEMBL27600871 0.72 BACE1 (0.34)
SCHEMBL27495582 0.71 HTR2A (0.58) HTR2AHTR2CKCNH2DRD2
SCHEMBL5789253 0.71 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2

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
CN-102838546-B Pyrazole derivatives as modulators of 5-ht2a serotonin receptor useful for treatment of disorders related thereto ARENA PHARM INC 2015-07-15 CN disclosed