SCHEMBL8940346

SCHEMBL8940346

B.CC(C)(C)SCCOCCOB(O)O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL8940256 0.98 HTR1A (0.31) HTR1ADRD2HTR2AHTR7
SCHEMBL8940522 0.84 HTR1A (0.32) HTR1ADRD2HTR2AHTR7
SCHEMBL8940245 0.82 HTR1A (0.33) HTR1ADRD2HTR2AHTR7
SCHEMBL16944246 0.81 HTR1A (0.42) HTR1ADRD2HTR2AHTR7
SCHEMBL12391960 0.78 HTR1A (0.43) HTR1ADRD2HTR2AHTR7
SCHEMBL6524963 0.75 MEN1 (0.50) HTR1ADRD2HTR2AHTR7
SCHEMBL8940328 0.74 MEN1 (0.33)
SCHEMBL8940525 0.73 TSHR (0.48) HTR1ADRD2HTR2AHTR7
SCHEMBL16940066 0.73 HTR1A (0.36) HTR1ADRD2HTR2AHTR7
SCHEMBL19979297 0.73 HTR1A (0.36) HTR1ADRD2HTR2AHTR7

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
US-5504240-A HYDROBORATION AND REDUCING AGENTS ALDRICH CHEMICAL COMPANY, INC. (US) 1996-04-02 US claimed