SCHEMBL7978394

SCHEMBL7978394

CC(=O)c1ccc(OCC[C@@H](C)N2CCN(C(=O)[C@](C)(NC(=O)O)C(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.42
HRH1 P35367 5/20 0.42
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCB1 P08183 2/20 0.38

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
SCHEMBL7979509 0.83 HRH2 (0.63) HRH2HRH1KDM4E
SCHEMBL7966219 0.83 HRH2 (0.63) HRH2HRH1KDM4E
SCHEMBL7248835 0.80 HRH2 (0.45) HRH2HRH1DRD3KDM4EL3MBTL1
SCHEMBL7252763 0.79 HRH2 (0.49) HRH2HRH1DRD3L3MBTL1MAPT
SCHEMBL7980089 0.79 HRH2 (0.49) HRH2HRH1DRD3L3MBTL1MAPT
SCHEMBL7978391 0.77 DRD3 (0.41) HRH2HRH1DRD3SIGMAR1KDM4E
SCHEMBL491549 0.76 KDM4E (0.57) HRH2HRH1SIGMAR1KDM4EL3MBTL1
SCHEMBL7252027 0.74 L3MBTL1 (0.51) HRH2HRH1DRD3SIGMAR1KDM4E
SCHEMBL7966044 0.71 HRH2 (0.59) HRH2HRH1KDM4EL3MBTL1
SCHEMBL7966024 0.71 HRH2 (0.59) HRH2HRH1KDM4EL3MBTL1

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 claimed