SCHEMBL7719732

SCHEMBL7719732

CCS(=O)(=O)n1cc(CO)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.55
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
HTR3A P46098 1/20 0.43

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
SCHEMBL7671291 0.85 HTR6 (0.66) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL28314093 0.83 HTR6 (0.68) HTR6
SCHEMBL30936107 0.80 HTR6 (0.82) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL946691 0.79 HTR6 (0.75) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL17176299 0.78 SMN1; SMN2 (0.67) HTR6HTR3A
SCHEMBL17170673 0.77 ALDH1A1 (0.57) HTR6HTR3A
SCHEMBL946516 0.77 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7669503 0.76 ALDH1A1 (0.50) HTR6HTR3A
SCHEMBL29072254 0.75 KDM4E (0.62) HTR6
SCHEMBL28964530 0.74 HTR6 (0.69) HTR6HTR1ADRD2HTR1DHTR1B

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
WO-2002042294-A1 1-SULFONYL SUBSTITUTED TRYPTOPHANE DERIVATIVES AND ITS USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-05-30 WO disclosed