SCHEMBL27786338

SCHEMBL27786338

CC(C)(C)C(=O)OC1C[C@@H](NC(=O)c2ccc(-n3cc4ccccc4n3)cc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCG P01275 4/20 0.44
GCGR P47871 1/20 0.40
ADORA3 P0DMS8 7/20 0.35
HPGDS O60760 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ADORA1 P30542 2/20 0.33
DPP4 P27487 1/20 0.33
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.33
EZH2 Q15910 1/20 0.33

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 0.81 GPR119 (0.40) GCGR
SCHEMBL27808321 0.81 GPR119 (0.40) GCGR
SCHEMBL27808277 0.80 KHK (0.49) HPGDSHRH3DPP4
SCHEMBL28787442 0.77 HDAC1 (0.52) HRH3
SCHEMBL14000452 0.75 GCG (0.50) GCGGCGRHRH3PARP1
SCHEMBL28787440 0.75 CRHR1 (0.40) NPC1
SCHEMBL27808373 0.75 CRHR1 (0.40) NPC1
SCHEMBL14000815 0.74 GCG (0.52) GCGGCGRHPGDSPARP1NPC1
Tert-Butyl Formate SCHEMBL27808400 0.74 GCG (0.46) GCGGCGRHPGDSPARP1
SCHEMBL3723766 0.73 HDAC4 (0.54) GCGPARP1

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