SCHEMBL7817329

SCHEMBL7817329

Fc1ccc2[nH]cc(CCCCNCC3COc4ccccc4O3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.64
ALDH1A1 P00352 1/20 0.56
MAPT P10636 2/20 0.55
MPO P05164 3/20 0.53
SLC6A4 P31645 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7818119 0.97 HTR1A (0.65) HTR1AMAPTMPOSLC6A4SMN1; SMN2
SCHEMBL7817707 0.88 MAPT (0.68) HTR1AALDH1A1MAPTSMN1; SMN2
SCHEMBL7825328 0.87 HTR1A (0.66) HTR1AMPOSLC6A4
SCHEMBL7824430 0.86 HTR2A (0.57) HTR1AALDH1A1MAPTSMN1; SMN2
SCHEMBL7817682 0.85 MAPT (0.58) HTR1AALDH1A1MAPTSMN1; SMN2
SCHEMBL7828214 0.85 MAPT (0.70) HTR1AALDH1A1MAPTSMN1; SMN2
SCHEMBL7824584 0.83 MAPT (0.80) HTR1AMAPTMPOSLC6A4
SCHEMBL7817700 0.83 HTR2A (0.56) HTR1AALDH1A1MAPTSMN1; SMN2
SCHEMBL6978453 0.82 HTR1A (0.90) HTR1AMPOSLC6A4
SCHEMBL6977070 0.82 HTR1A (0.89) 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 8 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
CN-1074414-C As 5-HT1AIndolylalkyl derivatives of benzodi * alkylmethylamines as receptor ligands AMERICAN HOME PROUDCTS CORP (US) 2001-11-07 CN claimed
CN-1205700-A Indolylalkyl derivatives of benzodioxan methylamines as 5-HTiA receptor ligands AMERICAN HOME PROD (US) 1999-01-20 CN 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
CN-1074414-C As 5-HT1AIndolylalkyl derivatives of benzodi * alkylmethylamines as receptor ligands AMERICAN HOME PROUDCTS CORP (US) 2001-11-07 CN disclosed
CN-1205700-A Indolylalkyl derivatives of benzodioxan methylamines as 5-HTiA receptor ligands AMERICAN HOME PROD (US) 1999-01-20 CN disclosed