SCHEMBL7831291

SCHEMBL7831291

COc1ccc2c(c1)OC(CNC(=O)CCc1c[nH]c3ccc(OCc4ccccc4)cc13)CO2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
SIRT2 Q8IXJ6 1/20 0.51
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
TRPM8 Q7Z2W7 2/20 0.50
LTA4H P09960 3/20 0.49
PLA2G2A P14555 3/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
ALDH1A1 P00352 1/20 0.48
FFAR1 O14842 1/20 0.47
POLB P06746 1/20 0.46
HTR1D P28221 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL7828880 0.92 MAPT (0.70) MAPTSIRT2TRPM8LTA4HPLA2G2A
SCHEMBL7825693 0.87 MAPT (0.66) MAPTMTNR1AMTNR1BALDH1A1FFAR1
Hydrochloric Acid SCHEMBL7828805 0.85 HTR2A (0.54) MAPTTRPM8LTA4HPLA2G2AABCG2
SCHEMBL7825305 0.84 MAPT (0.76) MAPTMTNR1AMTNR1BALDH1A1
SCHEMBL7816819 0.84 MAPT (0.62) MAPTMTNR1AMTNR1BALDH1A1
SCHEMBL7838049 0.84 MAPT (0.77) MAPTMTNR1AMTNR1BALDH1A1
SCHEMBL7838051 0.84 MAPT (0.77) MAPTMTNR1AMTNR1BALDH1A1
SCHEMBL7831631 0.82 MAPT (0.61) MAPTMTNR1AMTNR1BFFAR1BCHE
SCHEMBL7831289 0.81 LTA4H (0.52) MAPTSIRT2MTNR1AMTNR1BTRPM8
SCHEMBL7824563 0.80 MAPT (0.69) MAPTALDH1A1

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