SCHEMBL7206828

SCHEMBL7206828

c1ccc(CNCCOc2cccc3[nH]ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 1.00
DRD4 P21917 8/20 1.00
DRD3 P35462 8/20 1.00
HTR1A P08908 4/20 0.60
SLC6A4 P31645 2/20 0.60
HTR1B P28222 1/20 0.60
HTR6 P50406 1/20 0.55

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
SCHEMBL7211796 0.85 HTR1A (0.73) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL1582569 0.83 DRD2 (0.70) DRD2DRD4DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL1582607 0.82 DRD2 (0.69) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL15265981 0.82 DRD2 (0.68) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL15264971 0.81 DRD2 (0.68) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL12629127 0.81 DRD2 (0.68) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL12629128 0.80 DRD2 (0.67) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL15265869 0.79 DRD2 (0.63) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL16468242 0.79 DRD2 (0.64) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL8612003 0.79 DRD4 (1.00) DRD2DRD4DRD3HTR6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923548-B1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A LIGANDS WYETH CORP (US) 2003-03-12 EP claimed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US claimed
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP claimed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO claimed
EP-0923548-B1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A LIGANDS WYETH CORP (US) 2003-03-12 EP disclosed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US disclosed
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed