SCHEMBL3811409

SCHEMBL3811409

CN(c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
GPR119 Q8TDV5 8/20 0.48
USP30 Q70CQ3 3/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NR1D1 P20393 1/20 0.42

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
SCHEMBL4942930 0.87 HRH3 (0.67) HRH3GPR119USP30
SCHEMBL4942926 0.87 HRH3 (0.67) HRH3GPR119USP30
SCHEMBL3728196 0.83 GPR119 (0.68) HRH3GPR119USP30JAK2JAK1
SCHEMBL3720376 0.83 GPR119 (0.68) HRH3GPR119USP30JAK2JAK1
SCHEMBL4943963 0.83 HRH3 (0.64) HRH3GPR119USP30
SCHEMBL3725304 0.80 ALDH1A1 (0.52) HRH3GPR119USP30
SCHEMBL3725305 0.80 ALDH1A1 (0.52) HRH3GPR119USP30
SCHEMBL3674391 0.79 HDAC6 (0.54) HRH3GPR119USP30
SCHEMBL4943304 0.79 HDAC6 (0.54) HRH3GPR119USP30
SCHEMBL31142560 0.76 USP30 (0.53) GPR119USP30JAK2JAK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed