SCHEMBL7799044

SCHEMBL7799044

CCCN(CCCCCCNCCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.60
ADRA1A P35348 5/20 0.60
ADRA1B P35368 5/20 0.60
DRD2 P14416 7/20 0.58
DRD1 P21728 1/20 0.58
DRD3 P35462 6/20 0.55

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
SCHEMBL7799046 1.00 ADRA1D (0.60) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7333859 0.99 ADRA1D (0.59) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7799003 0.99 ADRA1D (0.59) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7333855 0.99 ADRA1D (0.59) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7331021 0.94 ADRA1D (0.61) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7331015 0.94 ADRA1D (0.61) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL7333905 0.93 ADRA1D (0.60) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7368787 0.93 ADRA1D (0.60) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL7333900 0.93 ADRA1D (0.60) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7368019 0.93 DRD3 (0.55) ADRA1DADRA1AADRA1BDRD2DRD3

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