Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL28078743

CC(C)(C)OC=O.Clc1ccc(OC2CCNCC2)c(Cl)c1

nearest known ligand 0.49

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
DDR1 Q08345 2/20 0.44
HTR2C P28335 5/20 0.43
HTR2B P41595 5/20 0.43
HTR6 P50406 1/20 0.43
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
P2RX3 P56373 1/20 0.41

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 SCHEMBL28101025 0.88 HTR2C (0.46) SLC6A4DDR1HTR2CHTR2BHTR6
SCHEMBL5372606 0.85 HTR2C (0.55) SLC6A4HTR2CHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL10276355 0.84 HTR2C (0.54) SLC6A4HTR2CHTR2BHTR6HTR1A
SCHEMBL13034355 0.81 SLC6A4 (0.52) SLC6A4DDR1HTR2CHTR2BHTR6
Tert-Butyl Formate SCHEMBL28078907 0.81 HRH1 (0.43) SLC6A4HTR2CHTR2B
Hydrochloric Acid SCHEMBL3106060 0.80 SLC6A4 (0.51) SLC6A4DDR1HTR2CHTR2BHTR6
SCHEMBL16657594 0.76 SLC6A4 (0.56) SLC6A4DDR1HTR2CHTR2BHTR6
SCHEMBL12263512 0.76 HPGD (0.49) SLC6A4HTR2CHTR2B
Tert-Butyl Formate SCHEMBL27805796 0.76 UTS2R (0.43) SLC6A4HTR2CHTR2BHTR1ASLC6A2
Tert-Butyl Formate SCHEMBL28328551 0.75 HRH1 (0.48) SLC6A4HTR2CHTR2BHTR6HTR1A

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-105793238-A Substituted benzamides and methods of use thereof 基因泰克公司 2016-07-20 CN disclosed