SCHEMBL7343545

SCHEMBL7343545

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.63
ADRA1A P35348 5/20 0.63
ADRA1B P35368 5/20 0.63
DRD2 P14416 8/20 0.62
DRD1 P21728 2/20 0.62
DRD3 P35462 5/20 0.54

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
SCHEMBL7343551 1.00 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7362001 0.92 ADRA1D (0.64) ADRA1DADRA1AADRA1BDRD2DRD1
Bromide SCHEMBL7357054 0.92 ADRA1D (0.64) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7362004 0.92 ADRA1D (0.64) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7332990 0.91 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD1
SCHEMBL7332993 0.91 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL7329269 0.91 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL7329274 0.91 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL7800023 0.91 ADRA1D (0.61) ADRA1DADRA1AADRA1BDRD2DRD1
Hydrochloric Acid SCHEMBL7800021 0.91 ADRA1D (0.61) 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 3 patents. 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
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed