SCHEMBL7790711

SCHEMBL7790711

CCCN(CCCCCCNCCc1ccc(O)c([N+](=O)[O-])c1)C1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.58
ADRA1A P35348 5/20 0.58
ADRA1B P35368 5/20 0.58
DRD2 P14416 7/20 0.56
DRD1 P21728 1/20 0.56
DRD3 P35462 5/20 0.53

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
SCHEMBL7790710 1.00 ADRA1D (0.58) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7337914 0.99 ADRA1D (0.57) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7337911 0.99 ADRA1D (0.57) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL7329976 0.88 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD3
Hydrochloric Acid SCHEMBL7329969 0.88 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD3
Bromide SCHEMBL7357520 0.88 DRD2 (0.66) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7330093 0.87 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7330103 0.87 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7330090 0.86 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7332993 0.86 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD1

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