SCHEMBL7818121

SCHEMBL7818121

Fc1ccc2[nH]cc(CCCNC(C3=CC=CCC3)C3=COC=CO3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 0.45
SLC6A4 P31645 8/20 0.45
HTR1A P08908 4/20 0.40

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
SCHEMBL7825966 0.97 MPO (0.42) MPOSLC6A4HTR1A
SCHEMBL7817689 0.90 HTR2C (0.39) SLC6A4HTR1A
SCHEMBL7828217 0.88 HTR1A (0.39) SLC6A4HTR1A
SCHEMBL7817703 0.88 HTR2A (0.43) MPOSLC6A4HTR1A
SCHEMBL7824434 0.85 HTR2A (0.44) MPOSLC6A4HTR1A
SCHEMBL7817710 0.85 HTR1A (0.36) SLC6A4HTR1A
SCHEMBL7817353 0.84 SLC6A4 (0.46) SLC6A4HTR1A
SCHEMBL7827683 0.80 LMNA (0.30)
SCHEMBL1322750 0.80 SLC6A4 (0.33) SLC6A4
SCHEMBL8692253 0.73 MPO (0.31) MPO

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