SCHEMBL7401478

SCHEMBL7401478

CCCN(CCCCCCNCCc1ccc(C(=O)OC)cc1)[C@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.51
ADRA1A P35348 5/20 0.51
ADRA1B P35368 5/20 0.51
DRD3 P35462 13/20 0.49
DRD2 P14416 13/20 0.49
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD1 P21728 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL7401480 1.00 ADRA1D (0.51) ADRA1DADRA1AADRA1BDRD3DRD2
Hydrochloric Acid SCHEMBL7338544 0.89 ADRA1D (0.49) ADRA1DADRA1AADRA1BDRD3DRD2
Hydrochloric Acid SCHEMBL7338540 0.89 ADRA1D (0.49) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7800006 0.88 DRD3 (0.47) ADRA1DADRA1AADRA1BDRD3DRD2
SCHEMBL7338343 0.88 DRD3 (0.47) ADRA1DADRA1AADRA1BDRD3DRD2
Hydrochloric Acid SCHEMBL7800055 0.87 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD3DRD2
Hydrochloric Acid SCHEMBL7800053 0.87 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD3DRD2
Hydrochloric Acid SCHEMBL7338339 0.86 DRD2 (0.48) ADRA1DADRA1AADRA1BDRD3DRD2
Hydrochloric Acid SCHEMBL7338342 0.86 DRD2 (0.48) ADRA1DADRA1AADRA1BDRD3DRD2
Hydrochloric Acid SCHEMBL7799038 0.86 ADRA1D (0.59) ADRA1DADRA1AADRA1BDRD3DRD2

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