Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27786378

CC(C)(C)OC=O.CN(C(=O)c1ccc(-n2cccn2)cc1)C1CCNCC1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.55
KCNH2 Q12809 2/20 0.54
GPR119 Q8TDV5 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
MGLL Q99685 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KMT2A Q03164 1/20 0.36
PTK2 Q05397 1/20 0.36
MAPT P10636 1/20 0.36
MCHR1 Q99705 1/20 0.35
TNKS O95271 1/20 0.35
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL3636321 0.90 HRH3 (0.65) HRH3KCNH2GPR119SMN1; SMN2MGLL
Tert-Butyl Formate SCHEMBL28784361 0.89 HRH3 (0.55) HRH3KCNH2GPR119PTK2CACNA2D1
Hydrochloric Acid SCHEMBL3639931 0.89 HRH3 (0.64) HRH3KCNH2GPR119SMN1; SMN2MGLL
SCHEMBL3665742 0.84 HRH3 (0.62) HRH3KCNH2GPR119MGLLKMT2A
SCHEMBL3665747 0.84 HRH3 (0.62) HRH3KCNH2GPR119MGLLKMT2A
Tert-Butyl Formate SCHEMBL27786382 0.82 GPR119 (0.45) GPR119MAPT
SCHEMBL3636580 0.78 GPR119 (0.83) HRH3KCNH2GPR119USP30
SCHEMBL18924338 0.77 HRH3 (0.70) HRH3KCNH2GPR119SMN1; SMN2KDM4E
SCHEMBL8368604 0.76 HRH3 (0.70) HRH3KCNH2GPR119MGLLUSP30
SCHEMBL3728198 0.75 GPR119 (0.77) HRH3KCNH2GPR119USP30

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