SCHEMBL14720595

SCHEMBL14720595

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(COc3cccnn3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.48
GRM5 P41594 3/20 0.41
POLB P06746 1/20 0.41
HDAC2 Q92769 1/20 0.39
DTYMK P23919 1/20 0.38
GRM1 Q13255 1/20 0.38
FAAH O00519 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
GABRA1 P14867 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR1 P21554 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
CNR2 P34972 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ACHE P22303 1/20 0.38
SRD5A1 P18405 1/20 0.37

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
SCHEMBL15441571 0.81 YAP1 (0.52) GPR119POLBHDAC2
SCHEMBL14721047 0.80 GPR119 (0.42) GPR119GRM5HDAC2SRD5A1OGA
SCHEMBL14720688 0.79 GPR119 (0.41) GPR119GRM5HDAC2OGA
SCHEMBL14722713 0.78 GPR119 (0.40) GPR119GRM5HDAC2OGA
SCHEMBL14720589 0.78 GRM5 (0.43) GPR119GRM5HDAC2SRD5A1OGA
SCHEMBL14720749 0.77 SRD5A1 (0.58) GPR119GRM5HDAC2ACHESRD5A1
SCHEMBL18992022 0.77 OGA (0.45) GPR119GRM5HDAC2SRD5A1OGA
SCHEMBL14723042 0.77 GRM5 (0.41) GPR119GRM5POLBHDAC2DTYMK
SCHEMBL1473227 0.76 GPR119 (0.51) GPR119GRM5GRM1SRD5A1
SCHEMBL13280881 0.76 PRMT5 (0.49) GPR119POLBHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed