SCHEMBL3248049

SCHEMBL3248049

c1ccc(C2(N3CCNC3)COCC[N]2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL9571716 0.70 HTR2A (0.39)
SCHEMBL5059600 0.69 HTR2A (0.36)
SCHEMBL6582543 0.69 OPRM1 (0.40)
SCHEMBL5187018 0.64 GRIN1 (0.40)
SCHEMBL2180899 0.61
SCHEMBL4722162 0.60 ALOX5 (0.34) ADRA2AADRA2BADRA2C
SCHEMBL4529279 0.60 USP2 (0.31)
SCHEMBL10261142 0.59 SIGMAR1 (0.58)
SCHEMBL6971939 0.59 SIGMAR1 (0.41)
SCHEMBL4720537 0.58 HTR1A (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899350-B1 PYRAZOLO [3 , 4-D]AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-05-12 EP disclosed
EP-1899350-A1 PYRAZOLO Ý3 , 4-D¨AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-03-19 EP disclosed
WO-2007025596-A1 PYRAZOLO [3 , 4-D] AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed