SCHEMBL7785683

SCHEMBL7785683

CCCN(C(=O)O)C1CCc2c(ccc3c2OCO3)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
DRD1 P21728 2/20 0.43
DRD3 P35462 7/20 0.40
HTR1A P08908 4/20 0.40
DRD4 P21917 3/20 0.40
HTR7 P34969 3/20 0.40
DRD5 P21918 1/20 0.40
ADRB2 P07550 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 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
SCHEMBL7785681 1.00 DRD2 (0.43) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL22702312 0.83 DRD2 (0.57) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL22702276 0.83 DRD2 (0.57) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785750 0.78 DRD2 (0.70) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785753 0.78 DRD2 (0.70) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785706 0.76 DRD2 (0.52) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7785703 0.76 DRD2 (0.52) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7788806 0.75 DRD2 (0.70) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7788808 0.75 DRD2 (0.70) DRD2DRD1DRD3HTR1ADRD4
SCHEMBL7786302 0.75 DRD3 (0.44) DRD2DRD1DRD3HTR1ADRD4

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-0717620-B1 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC (US) 2001-10-31 EP disclosed
EP-0717620-A4 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC (US) 1997-05-28 EP disclosed
EP-0717620-A1 SUBSTITUTED 2-AMINOTETRALINS Discovery Therapeutics, Inc. (US) 1996-06-26 EP disclosed
WO-1995004532-A1 SUBSTITUTED 2-AMINOTETRALINS DISCOVERY THERAPEUTICS INC. (US) 1995-02-16 WO disclosed