SCHEMBL3470187

SCHEMBL3470187

CC(CBr)N1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GMNN O75496 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
FAAH O00519 5/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL209740 0.78 MGLL (0.44) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL4418973 0.77 GABBR2 (0.35) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL19603733 0.76 MGLL (0.37) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL3482194 0.76 MGLL (0.37) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL8095583 0.76 MGLL (0.37) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL24574686 0.74 ALDH1A1 (0.36) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL5081930 0.74 MGLL (0.36) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL8168349 0.74 MGLL (0.46) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL1535503 0.74 GAA (0.42) MGLLALDH1A1LMNAMAPTNPSR1
SCHEMBL17924935 0.73 MGLL (0.34) MGLLALDH1A1LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167083-A2 NOVEL 1- HETEROARYL-3-AZABICYCLOÝ3.1.0¨HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV Pharmaceutical, Inc. (US) 2010-03-31 EP disclosed
WO-2008153937-A2 NOVEL 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DOV PHARMACEUTICAL, INC. (US) 2008-12-18 WO disclosed