SCHEMBL27808348

SCHEMBL27808348

CC(C)(C)C(=O)OC1C[C@@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
DRD3 P35462 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
DGAT1 O75907 2/20 0.38
KDM1A O60341 4/20 0.37
GCGR P47871 2/20 0.37
RAB9A P51151 1/20 0.37
CHRM1 P11229 1/20 0.37
DGAT2 Q96PD7 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL27808321 1.00 GPR119 (0.40) GPR119DRD2HTR2ADRD3MAPT
SCHEMBL27808501 0.84 HDAC1 (0.49) MAPTRAB9A
SCHEMBL27808326 0.84 HDAC1 (0.49) MAPTRAB9A
SCHEMBL27786338 0.81 GCG (0.44) GCGR
SCHEMBL27786384 0.80 HRH3 (0.52) GPR119MAPTTP53RAB9A
SCHEMBL27808277 0.80 KHK (0.49)
SCHEMBL27808402 0.79 RAB9A (0.35) MAPTRAB9ADGAT2
SCHEMBL28787442 0.74 HDAC1 (0.52)
SCHEMBL28787440 0.74 CRHR1 (0.40) RAB9A
SCHEMBL27808373 0.74 CRHR1 (0.40) RAB9A

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