SCHEMBL7980089

SCHEMBL7980089

CC(=O)c1ccc(OCCC(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.49
HRH1 P35367 6/20 0.49
GPR119 Q8TDV5 7/20 0.48
DRD3 P35462 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7252763 1.00 HRH2 (0.49) HRH2HRH1GPR119DRD3L3MBTL1
SCHEMBL7249491 0.87 HRH2 (0.56) HRH2HRH1GPR119
SCHEMBL7245710 0.87 HRH2 (0.56) HRH2HRH1GPR119
SCHEMBL491549 0.81 KDM4E (0.57) HRH2HRH1L3MBTL1MEN1KMT2A
SCHEMBL7978391 0.79 DRD3 (0.41) HRH2HRH1DRD3L3MBTL1MEN1
SCHEMBL7978394 0.79 HRH2 (0.42) HRH2HRH1DRD3L3MBTL1MEN1
SCHEMBL7252027 0.79 L3MBTL1 (0.51) HRH2HRH1DRD3L3MBTL1GAA
SCHEMBL7248835 0.78 HRH2 (0.45) HRH2HRH1DRD3L3MBTL1MEN1
SCHEMBL20425432 0.77 DRD3 (0.55) GPR119DRD3L3MBTL1MAPT
SCHEMBL16825660 0.76 DRD3 (0.54) HRH2HRH1GPR119DRD3L3MBTL1

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-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed