SCHEMBL7781196

SCHEMBL7781196

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

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.78
DRD1 P21728 2/20 0.78
DRD3 P35462 5/20 0.57
DRD4 P21917 3/20 0.57
HTR1A P08908 1/20 0.57
DRD5 P21918 1/20 0.57
HTR7 P34969 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRA1D P25100 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54

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
SCHEMBL7788401 1.00 DRD2 (0.78) DRD2DRD1DRD3DRD4HTR1A
Hexanoate SCHEMBL7790202 0.90 DRD2 (0.62) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7362530 0.88 DRD2 (1.00) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788774 0.88 DRD2 (1.00) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788379 0.86 DRD2 (0.81) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7781190 0.86 DRD2 (0.81) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7781207 0.85 DRD2 (0.80) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL8742154 0.85 DRD2 (0.80) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7785685 0.84 DRD2 (0.78) DRD2DRD1DRD3DRD4HTR1A
SCHEMBL7788407 0.84 DRD2 (0.78) 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