SCHEMBL3469706

SCHEMBL3469706

CCCN1C(=O)C=C(Br)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.50
MGLL Q99685 4/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CISD1 Q9NZ45 2/20 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
SCHEMBL4852834 0.88 RGS4 (0.47) RGS4MGLLPTGS1PTGS2FAAH
SCHEMBL3470129 0.83 RGS4 (0.53) RGS4MGLLALDH1A1MAPTGMNN
SCHEMBL4855647 0.79 RGS4 (0.41) RGS4MGLLPTGS1PTGS2FAAH
SCHEMBL4852057 0.79 RGS4 (0.50) RGS4ALDH1A1MAPTLMNAMEN1
SCHEMBL4850588 0.79 RGS4 (0.46) RGS4MGLLALDH1A1MAPTLMNA
SCHEMBL4845878 0.79 RGS4 (0.46) RGS4ALDH1A1MAPTLMNAMEN1
SCHEMBL2786847 0.77 PTGS1 (0.36) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL4848235 0.76 RGS4 (0.44) RGS4ALDH1A1RAB9A
SCHEMBL3178989 0.73 MGLL (0.34) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL18942761 0.73 RGS4 (0.45) RGS4MGLLPTGS1PTGS2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024218505-A1 POLYMERIC MATERIAL SUITABLE FOR RECYCLING THE UNIVERSITY OF WARWICK (GB) 2024-10-24 WO disclosed
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
EP-1874298-A4 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV PHARMACEUTICAL INC (US) 2009-08-05 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
EP-1915146-A2 NOVEL 1-ARYL-3-AZABICYCLOÝ3.1.0¨HEXANES: PREPARATION AND USE TO TREAT NEUROPSYCHIATRIC DISORDERS DOV Pharmaceutical, Inc. (US) 2008-04-30 EP disclosed
EP-1874298-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV Pharmaceutical Inc. (US) 2008-01-09 EP disclosed
WO-2007016155-A2 NOVEL 1-ARYL-3-AZABICYCLO[3.1.0]HEXANES: PREPARATION AND USE TO TREAT NEUROPSYCHIATRIC DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-08 WO disclosed
WO-2006096810-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3.1.0] HEXANES DOV PHARMACEUTICAL, INC. (US) 2006-09-14 WO disclosed