SCHEMBL7785703

SCHEMBL7785703

CCCN(C(=O)O)[C@H]1CCc2c(ccc(C=O)c2O)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
DRD1 P21728 2/20 0.52
DRD3 P35462 5/20 0.44
DRD4 P21917 3/20 0.44
HTR1A P08908 2/20 0.44
DRD5 P21918 1/20 0.44
HTR7 P34969 1/20 0.44
ADRB2 P07550 1/20 0.44
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41

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
SCHEMBL7785706 1.00 DRD2 (0.52) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785753 0.86 DRD2 (0.70) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785750 0.86 DRD2 (0.70) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788808 0.79 DRD2 (0.70) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788806 0.79 DRD2 (0.70) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL29374952 0.77 FYN (0.54) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785681 0.76 DRD2 (0.43) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785683 0.76 DRD2 (0.43) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785764 0.76 DRD2 (0.46) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785770 0.76 DRD2 (0.46) DRD2DRD1DRD3DRD4HTR1A

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-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
US-5382596-A Useful for alleviating Parkinsonism, glaucoma, hyperprolactinemia and for inducing weight loss in mammals WHITBY RESEARCH, INC. (US) 1995-01-17 US disclosed