SCHEMBL27786384

SCHEMBL27786384

CN(C(=O)c1ccc(-n2cccn2)cc1)[C@H]1CNC(OC(=O)C(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
KCNH2 Q12809 1/20 0.51
GPR119 Q8TDV5 2/20 0.48
MAPT P10636 1/20 0.37
MGLL Q99685 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 2/20 0.35
PTPN1 P18031 1/20 0.34
TNKS O95271 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HBB P68871 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL27808348 0.80 GPR119 (0.40) GPR119MAPTTP53RAB9A
SCHEMBL27808321 0.80 GPR119 (0.40) GPR119MAPTTP53RAB9A
SCHEMBL27786472 0.79 PDK2 (0.35) HRH3KCNH2GPR119ALDH1A1USP30
SCHEMBL27808281 0.75 PTAFR (0.41) HRH3RAB9ASMN1; SMN2
SCHEMBL3665747 0.74 HRH3 (0.62) HRH3KCNH2GPR119MGLLTP53
SCHEMBL3665742 0.74 HRH3 (0.62) HRH3KCNH2GPR119MGLLTP53
SCHEMBL3636321 0.74 HRH3 (0.65) HRH3KCNH2GPR119MAPTMGLL
Hydrochloric Acid SCHEMBL3639931 0.73 HRH3 (0.64) HRH3KCNH2GPR119MAPTMGLL
Tert-Butyl Formate SCHEMBL27786378 0.72 HRH3 (0.55) HRH3KCNH2GPR119MAPTMGLL
SCHEMBL18924338 0.72 HRH3 (0.70) HRH3KCNH2GPR119MGLLKMT2A

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
CN-101778838-A Azacyclylbenzamide derivatives as histamine-3 antagonists WYETH CORP 2010-07-14 CN disclosed