SCHEMBL4438692

SCHEMBL4438692

c1ccc(COCN2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.49
ALDH1A1 P00352 6/20 0.49
HTT P42858 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 2/20 0.48
LTA4H P09960 1/20 0.48
MAPT P10636 2/20 0.46
EGFR P00533 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4663018 0.83 LTA4H (0.60) SIGMAR1HTTKDM4ETSHRLTA4H
SCHEMBL30128338 0.83 LTA4H (0.56) SIGMAR1HTTTSHRLTA4HHSD17B10
SCHEMBL21886975 0.83 LTA4H (0.65) POLBSIGMAR1KMT2AMEN1GAA
SCHEMBL7301909 0.81 LMNA (0.59) SIGMAR1TSHRLTA4HHSD17B10LMNA
SCHEMBL5788869 0.79 SIGMAR1 (0.59) SIGMAR1KMT2AMEN1ALDH1A1TSHR
Dioxane SCHEMBL8701185 0.78 TSHR (0.71) POLBKMT2AMEN1NPSR1ALDH1A1
SCHEMBL13992754 0.77 TSHR (0.47) SIGMAR1KMT2AMEN1GAAALDH1A1
SCHEMBL28303545 0.77 DRD1 (0.53) TSHRDRD1DRD4
Oxalic Acid SCHEMBL10846897 0.77 POLB (0.56) POLBSIGMAR1KMT2AMEN1ALDH1A1
Oxirane SCHEMBL3317346 0.76 TSHR (0.75) POLBKMT2AMEN1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
EP-0730593-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-09-11 EP disclosed
WO-1995014690-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 WO disclosed