SCHEMBL7825328

SCHEMBL7825328

COc1ccc2c(c1)OC(CNCCCCc1c[nH]c3ccc(F)cc13)CO2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.66
MPO P05164 3/20 0.48
HTR2A P28223 2/20 0.48
SLC6A4 P31645 3/20 0.47

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
SCHEMBL7816824 0.94 HTR1A (0.56) HTR1AHTR2ASLC6A4
SCHEMBL7823948 0.89 HTR1A (0.54) HTR1AHTR2A
SCHEMBL7817427 0.88 HTR1A (0.51) HTR1AHTR2A
SCHEMBL7824430 0.88 HTR2A (0.57) HTR1AHTR2A
SCHEMBL7817265 0.87 HTR1A (0.53) HTR1AHTR2A
SCHEMBL7817329 0.87 HTR1A (0.64) HTR1AMPOSLC6A4
SCHEMBL7831631 0.85 MAPT (0.61) HTR1AMPOSLC6A4
SCHEMBL7817700 0.85 HTR2A (0.56) HTR1AHTR2A
SCHEMBL7826026 0.84 HTR1A (0.47) HTR1AHTR2A
SCHEMBL7818119 0.84 HTR1A (0.65) HTR1AMPOSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861248-B1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PROD (US) 2001-12-12 EP claimed
EP-0861248-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-02 EP claimed
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US claimed
WO-1997017343-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-15 WO claimed
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed