SCHEMBL7781202

SCHEMBL7781202

CCC(CCOC(C)C)NC1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD1 P21728 1/20 0.44
ADRA1D P25100 5/20 0.43
ADRA1A P35348 5/20 0.43
ADRA1B P35368 5/20 0.43
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
ADRB2 P07550 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7781192 0.87 DRD2 (0.44) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7788385 0.86 DRD2 (0.46) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7790219 0.85 DRD2 (0.43) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7781213 0.85 DRD2 (0.46) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7785697 0.82 ADRA1D (0.32) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL11520474 0.79 DRD2 (0.57) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL2957887 0.73 DRD2 (0.51) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL2956868 0.72 ADRA1D (0.49) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7788401 0.72 DRD2 (0.78) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL7781196 0.72 DRD2 (0.78) DRD2DRD1ADRA1DADRA1AADRA1B

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