SCHEMBL5255386

SCHEMBL5255386

N#CC1[C]=CCc2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31

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
SCHEMBL458529 0.81 MAOB (0.33) HTR2A
SCHEMBL11026480 0.75 MEN1 (0.32) HTR2A
SCHEMBL8776161 0.73 HTR2A (0.33) HTR2A
SCHEMBL3389204 0.72 HTR2A (0.35) HTR2A
SCHEMBL4307808 0.71 HTR2A (0.34) HTR2A
SCHEMBL458495 0.71 HTR2A (0.35) HTR2A
SCHEMBL458123 0.71 HTR2A (0.34) HTR2A
SCHEMBL6521360 0.71 HTR2A (0.35) HTR2A
SCHEMBL4290508 0.71 HTR2A (0.35) HTR2A
SCHEMBL874497 0.71 HTR2A (0.34) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805179-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES Brystol-Myers Squibb Company (US) 2007-07-11 EP claimed
WO-2006135425-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO claimed
EP-1805179-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES Brystol-Myers Squibb Company (US) 2007-07-11 EP disclosed
WO-2006135425-A2 PREPARATION OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO disclosed