SCHEMBL28604379

SCHEMBL28604379

CC(C)(C)[Si](C)(C)OCCCc1ccc2[nH]cc(-c3[c]cc(F)cc3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MPO P05164 14/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2A P28223 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL7733863 0.76 MPO (0.56) HTR1AMPOSLC6A4HTR2ATRPM8
SCHEMBL15902132 0.75 GABRA1 (0.39)
SCHEMBL28604357 0.74 AR (0.31)
SCHEMBL8140362 0.71 MPO (0.55) HTR1AMPOSLC6A4HTR2ATRPM8
SCHEMBL15901906 0.68 HDAC1 (0.44) HTR1AHTR1DHTR1B
SCHEMBL22152521 0.67 SLC6A4 (0.56) HTR1AHTR7HTR6HTR1DHTR1B
SCHEMBL25356197 0.65 DUT (0.36)
SCHEMBL30531080 0.65 DUT (0.36)
SCHEMBL8129433 0.64 HTR2A (0.55) HTR1AHTR7HTR6MPOSLC6A4
SCHEMBL5946187 0.64 SLC6A4 (0.52) HTR1AHTR7HTR6HTR1DHTR1B

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-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed