SCHEMBL7823948

SCHEMBL7823948

COc1ccc2c(c1)OC(CNCCCCc1c[nH]c3ccccc13)CO2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.54
MAPT P10636 2/20 0.54
HTR2A P28223 2/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MTNR1A P48039 1/20 0.44

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
SCHEMBL7816824 0.93 HTR1A (0.56) HTR1AMAPTHTR2AKMT2AALDH1A1
SCHEMBL7824430 0.90 HTR2A (0.57) HTR1AMAPTHTR2AALDH1A1
SCHEMBL7825328 0.89 HTR1A (0.66) HTR1AHTR2A
SCHEMBL7817700 0.87 HTR2A (0.56) HTR1AMAPTHTR2AALDH1A1
SCHEMBL7817427 0.87 HTR1A (0.51) HTR1AHTR2AALDH1A1MTNR1A
SCHEMBL7817707 0.87 MAPT (0.68) HTR1AMAPTKMT2AALDH1A1MEN1
SCHEMBL7817397 0.86 MAPT (0.58) HTR1AMAPTKMT2AALDH1A1MEN1
SCHEMBL7817265 0.86 HTR1A (0.53) HTR1AMAPTHTR2AALDH1A1MTNR1A
SCHEMBL7827977 0.86 MAPT (0.57) HTR1AMAPTKMT2AALDH1A1MEN1
SCHEMBL7838049 0.84 MAPT (0.77) MAPTKMT2AALDH1A1MEN1MTNR1A

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