SCHEMBL7797227

SCHEMBL7797227

CCCN(CCCCCCNCCc1ccc(O)c(Cl)c1)[C@H]1CCc2c(ccc(O)c2CO)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.54
DRD3 P35462 5/20 0.54
ADRA1D P25100 5/20 0.51
ADRA1A P35348 5/20 0.51
ADRA1B P35368 5/20 0.51
DRD1 P21728 1/20 0.48

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
SCHEMBL7330090 0.91 ADRA1D (0.62) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7336580 0.91 DRD2 (0.56) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7330100 0.91 ADRA1D (0.62) DRD2DRD3ADRA1DADRA1AADRA1B
Bromide SCHEMBL7365878 0.90 ADRA1D (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
Bromide SCHEMBL7365876 0.90 ADRA1D (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7333025 0.89 DRD2 (0.54) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7341916 0.88 ADRA1D (0.58) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7341913 0.88 ADRA1D (0.58) DRD2DRD3ADRA1DADRA1AADRA1B
Bromide SCHEMBL7333432 0.88 DRD2 (0.69) DRD2DRD3DRD1
Bromide SCHEMBL7333436 0.88 DRD2 (0.69) DRD2DRD3DRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed