SCHEMBL7824434

SCHEMBL7824434

COc1ccc2[nH]cc(CCCCNC(C3=CC=CCC3)C3=COC=CO3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.44
HTR1A P08908 8/20 0.42
SLC6A4 P31645 1/20 0.41
MTNR1A P48039 3/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
MTNR1B P49286 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A1 P04798 1/20 0.39
MPO P05164 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7817703 0.98 HTR2A (0.43) HTR2AHTR1ASLC6A4MTNR1ACYP1A2
SCHEMBL7825966 0.88 MPO (0.42) HTR1ASLC6A4MPO
SCHEMBL7817353 0.86 SLC6A4 (0.46) HTR1ASLC6A4KDM4EMEN1KMT2A
SCHEMBL7817710 0.86 HTR1A (0.36) HTR2AHTR1ASLC6A4KDM4EMEN1
SCHEMBL7817689 0.85 HTR2C (0.39) HTR2AHTR1ASLC6A4CYP1A2CYP2D6
SCHEMBL7818121 0.85 MPO (0.45) HTR1ASLC6A4MPO
SCHEMBL7828217 0.83 HTR1A (0.39) HTR2AHTR1ASLC6A4KDM4EMEN1
SCHEMBL1322750 0.76 SLC6A4 (0.33) SLC6A4
SCHEMBL8694687 0.74 HTR2B (0.38) HTR2AHTR1AMTNR1ACYP1A2CYP2D6
SCHEMBL8690809 0.74 HTR2B (0.38) HTR2AHTR1AMTNR1ACYP1A2CYP2D6

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