SCHEMBL7363463

SCHEMBL7363463

CCCN(CCCCCCNCCc1ccccc1)C1CCc2c(ccc(O)c2NS(C)(=O)=O)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.54
ADRA1A P35348 5/20 0.54
ADRA1B P35368 5/20 0.54
DRD2 P14416 9/20 0.52
DRD3 P35462 6/20 0.52
DRD1 P21728 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
DRD4 P21917 1/20 0.52
LMNA P02545 1/20 0.51
PMP22 Q01453 1/20 0.51

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
SCHEMBL7363460 1.00 ADRA1D (0.54) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7800051 0.92 DRD3 (0.52) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7342869 0.89 ADRA1D (0.58) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7342876 0.89 ADRA1D (0.58) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7330882 0.89 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7330880 0.89 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD2DRD3
Bromide SCHEMBL7398190 0.88 ADRA1D (0.57) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7332121 0.86 ADRA1D (0.61) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7332116 0.86 ADRA1D (0.61) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7339168 0.86 ADRA1D (0.59) 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 4 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
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US 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