Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28291789

CC(C)(C)OC=O.N#Cc1ccc(OC2CCNCC2)c(F)c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 17/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL225826 0.87 SLC6A2 (0.49) GPR6HTR1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL16818301 0.85 SLC6A2 (0.48) GPR6HTR1ASLC6A2SLC6A3
Tert-Butyl Formate SCHEMBL28101025 0.84 HTR2C (0.46) SLC6A2SLC6A3
Tert-Butyl Formate SCHEMBL28072762 0.83 NMT1 (0.40) GPR6HTR1ASLC6A2SLC6A3
Tert-Butyl Formate SCHEMBL27805796 0.77 UTS2R (0.43) HTR1ASLC6A2SLC6A3
SCHEMBL23686797 0.76 SLC6A9 (0.47) GPR6
SCHEMBL18855637 0.76 SLC6A9 (0.47) GPR6
Tert-Butyl Formate SCHEMBL28221270 0.75 HTR1A (0.39) HTR1ASLC6A2SLC6A3CTSSCTSK
SCHEMBL17008795 0.75 GPR6 (0.47) GPR6
SCHEMBL23842656 0.75 SLC6A4 (0.48) HTR1ASLC6A2SLC6A3

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-106103421-B The pyrazine regulator of GPR6 武田药品工业株式会社 2019-04-09 CN disclosed