SCHEMBL7817682

SCHEMBL7817682

Oc1ccc2[nH]cc(CCCNCC3COc4ccccc4O3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
HTR1A P08908 12/20 0.55
ALDH1A1 P00352 2/20 0.52
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
POLB P06746 1/20 0.47
ESR2 Q92731 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
SCHEMBL7817434 0.93 DRD2 (0.51) MAPTSMN1; SMN2HTR1ADRD2DRD4
SCHEMBL7826778 0.89 MAPT (0.59) MAPTSMN1; SMN2HTR1AALDH1A1DRD2
SCHEMBL7818119 0.88 HTR1A (0.65) MAPTSMN1; SMN2HTR1A
SCHEMBL7828214 0.88 MAPT (0.70) MAPTSMN1; SMN2HTR1AALDH1A1POLB
SCHEMBL7817397 0.87 MAPT (0.58) MAPTSMN1; SMN2HTR1AALDH1A1DRD2
SCHEMBL7817265 0.86 HTR1A (0.53) MAPTHTR1AALDH1A1DRD2
SCHEMBL7817700 0.86 HTR2A (0.56) MAPTSMN1; SMN2HTR1AALDH1A1
SCHEMBL7817329 0.85 HTR1A (0.64) MAPTSMN1; SMN2HTR1AALDH1A1
SCHEMBL7817707 0.85 MAPT (0.68) MAPTSMN1; SMN2HTR1AALDH1A1POLB
SCHEMBL7817351 0.85 SMN1; SMN2 (0.57) MAPTSMN1; SMN2HTR1AALDH1A1POLB

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
EP-0861248-B1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PROD (US) 2001-12-12 EP disclosed