SCHEMBL7785697

SCHEMBL7785697

CCC(CCOC(C)C)NC1CCc2c(ccc(O[Si](C)(C)C(C)(C)C)c2O)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD2 P14416 5/20 0.32
DRD3 P35462 4/20 0.32
DRD4 P21917 3/20 0.31

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
SCHEMBL7781202 0.82 DRD2 (0.44) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7790200 0.78 DRD2 (0.53) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7790205 0.78 DRD2 (0.53) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7785692 0.77 DRD2 (0.53) DRD2DRD3DRD4
SCHEMBL7790219 0.73 DRD2 (0.43) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7781192 0.71 DRD2 (0.44) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7788385 0.70 DRD2 (0.46) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7781213 0.69 DRD2 (0.46) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7785770 0.67 DRD2 (0.46) DRD2DRD3DRD4
SCHEMBL7785764 0.67 DRD2 (0.46) DRD2DRD3DRD4

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 2 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
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