Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27716656

CC(C)(C)OC=O.CC1(O)C(=O)N(Cc2cccc(F)c2)c2cccc(N3CCNCC3)c21

nearest known ligand 0.43

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.43
HTR1A P08908 4/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
TP53 P04637 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY2R P49146 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
Tert-Butyl Formate SCHEMBL27716668 0.91 HTR6 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3854529 0.91 HTR6 (0.48) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3852196 0.81 GPR119 (0.47) TP53MAPTMEN1KMT2ANPY2R
Tert-Butyl Formate SCHEMBL27737438 0.81 HTR6 (0.46) HTR6HTR1ADRD2HTR2AHTR7
Tert-Butyl Formate SCHEMBL27737588 0.81 HTR6 (0.46) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL3853341 0.81 HTR6 (0.50) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL27716655 0.80 HTR6 (0.44) HTR6HTR1ADRD2HTR2AHTR7
Tert-Butyl Formate SCHEMBL27716577 0.78 HTR6 (0.60) HTR6HTR1ADRD2HTR2AHTR7
Tert-Butyl Formate SCHEMBL27716574 0.77 HTR6 (0.47) HTR6HTR1ADRD2HTR2AHTR7
Tert-Butyl Formate SCHEMBL27621119 0.75 MAPK14 (0.46) HTR6HTR1ADRD2HTR2AHTR7

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-101263136-A Benzimidazole derivatives as 5-HT6, 5-HT24 HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed