SCHEMBL7790554

SCHEMBL7790554

CCCN(CCCCCCNCCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2c(ccc(O)c2NC=O)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.51
ADRA1D P25100 5/20 0.49
ADRA1A P35348 5/20 0.49
ADRA1B P35368 5/20 0.49
DRD2 P14416 5/20 0.47

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
SCHEMBL7367026 0.92 DRD3 (0.53) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL7800051 0.92 DRD3 (0.52) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL7330880 0.90 ADRA1D (0.56) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL7799044 0.90 ADRA1D (0.60) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL7330882 0.90 ADRA1D (0.56) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL7799046 0.90 ADRA1D (0.60) DRD3ADRA1DADRA1AADRA1BDRD2
SCHEMBL7368019 0.90 DRD3 (0.55) DRD3ADRA1DADRA1AADRA1BDRD2
Bromide SCHEMBL7333859 0.89 ADRA1D (0.59) DRD3ADRA1DADRA1AADRA1BDRD2
Bromide SCHEMBL7799003 0.89 ADRA1D (0.59) DRD3ADRA1DADRA1AADRA1BDRD2
Bromide SCHEMBL7333855 0.89 ADRA1D (0.59) DRD3ADRA1DADRA1AADRA1BDRD2

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