SCHEMBL7828880

SCHEMBL7828880

O=C(CCc1c[nH]c2ccc(OCc3ccccc3)cc12)NCC1COc2ccccc2O1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
SIRT2 Q8IXJ6 1/20 0.53
TRPM8 Q7Z2W7 3/20 0.52
LTA4H P09960 6/20 0.51
PLA2G2A P14555 6/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
AIMP2 Q13155 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
HTR1D P28221 1/20 0.48
HPGD P15428 1/20 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
SCHEMBL7831291 0.92 MAPT (0.60) MAPTSIRT2TRPM8LTA4HPLA2G2A
SCHEMBL7817351 0.84 SMN1; SMN2 (0.57) MAPTTRPM8LTA4HPLA2G2APOLB
SCHEMBL7825305 0.83 MAPT (0.76) MAPTKDM4EAIMP2MEN1KMT2A
SCHEMBL7824563 0.80 MAPT (0.69) MAPTKDM4EAIMP2MEN1KMT2A
SCHEMBL7824584 0.79 MAPT (0.80) MAPTAIMP2
SCHEMBL7828882 0.79 LTA4H (0.57) MAPTSIRT2TRPM8LTA4HPLA2G2A
SCHEMBL7837183 0.78 MAPT (0.82) MAPTPOLBAIMP2MEN1KMT2A
SCHEMBL7834305 0.78 MAPT (1.00) MAPTKDM4EAIMP2MEN1KMT2A
SCHEMBL7825693 0.77 MAPT (0.66) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL7816819 0.76 MAPT (0.62) MAPTKDM4EAIMP2MEN1KMT2A

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