SCHEMBL8691287

SCHEMBL8691287

O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.64
▸ HTR1D P28221 4/20 0.64
▸ HTR1B P28222 4/20 0.64
▸ MAPT P10636 7/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ LMNA P02545 5/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ GAA P10253 3/20 0.61
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ TDP1 Q9NUW8 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 2/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL26826151 0.86 MAPT (0.65) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL2539868 0.84 MAPT (0.62) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL8229566 0.82 MAPT (0.87) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL31660992 0.81 GAA (0.67) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL2536283 0.81 GAA (0.67) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL2534045 0.81 MAPT (0.69) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL5148298 0.80 MAPT (0.68) HTR1DHTR1BMAPTMEN1KMT2A
SCHEMBL10753865 0.79 GAA (0.58) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL5148291 0.79 MAPT (0.70) HTR1AHTR1DHTR1BMAPTMEN1
SCHEMBL10756727 0.77 GAA (0.56) HTR1AHTR1DHTR1BMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770742-A SEROTONIN RECEPTOR SELECTIVITY, MIGRAINES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-06-23 — — US disclosed
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 — — WO disclosed
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