SCHEMBL7817397

SCHEMBL7817397

Oc1ccc2c(c1)OC(CNCCCCc1c[nH]c3ccccc13)CO2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HTR1A P08908 7/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
HTR6 P50406 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7826778 0.97 MAPT (0.59) MAPTHTR1ADRD2DRD4DRD3
SCHEMBL7817434 0.89 DRD2 (0.51) MAPTHTR1ADRD2DRD4DRD3
SCHEMBL7817707 0.89 MAPT (0.68) MAPTHTR1AALDH1A1MEN1LMNA
SCHEMBL7827977 0.88 MAPT (0.57) MAPTHTR1AALDH1A1MEN1LMNA
SCHEMBL7817682 0.87 MAPT (0.58) MAPTHTR1ADRD2DRD4DRD3
SCHEMBL7823948 0.86 HTR1A (0.54) MAPTHTR1AALDH1A1MEN1LMNA
SCHEMBL7828214 0.86 MAPT (0.70) MAPTHTR1AALDH1A1MEN1LMNA
SCHEMBL7817427 0.86 HTR1A (0.51) HTR1ADRD2ALDH1A1HTR6
SCHEMBL7829246 0.84 MAPT (0.83) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL7816898 0.83 MAPT (0.53) MAPTHTR1AALDH1A1MEN1LMNA

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
EP-0861248-B1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PROD (US) 2001-12-12 EP disclosed