SCHEMBL7828214

SCHEMBL7828214

c1ccc2c(c1)OCC(CNCCCc1c[nH]c3ccccc13)O2

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
HTR1A P08908 11/20 0.68
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.53
ESR2 Q92731 1/20 0.53
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1D P28221 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL7817707 0.97 MAPT (0.68) MAPTHTR1ASMN1; SMN2ALDH1A1POLB
SCHEMBL7826778 0.89 MAPT (0.59) MAPTHTR1ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7817682 0.88 MAPT (0.58) MAPTHTR1ASMN1; SMN2ALDH1A1POLB
SCHEMBL7818119 0.88 HTR1A (0.65) MAPTHTR1ASMN1; SMN2
SCHEMBL7827977 0.87 MAPT (0.57) MAPTHTR1ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7817397 0.86 MAPT (0.58) MAPTHTR1ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7817700 0.85 HTR2A (0.56) MAPTHTR1ASMN1; SMN2ALDH1A1
SCHEMBL7817329 0.85 HTR1A (0.64) MAPTHTR1ASMN1; SMN2ALDH1A1
SCHEMBL7823948 0.84 HTR1A (0.54) MAPTHTR1AALDH1A1MEN1LMNA
SCHEMBL7827265 0.83 HTR1A (0.54) MAPTHTR1ASMN1; SMN2ALDH1A1MEN1

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 4 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
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