SCHEMBL7338343

SCHEMBL7338343

CCCN(CCCCCCN(CCc1ccc(C(=O)OC)cc1)C(=O)OCc1ccccc1)[C@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.47
DRD2 P14416 13/20 0.45
DRD1 P21728 3/20 0.43
DRD4 P21917 2/20 0.43
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
THPO P40225 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41

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
SCHEMBL7800006 1.00 DRD3 (0.47) DRD3DRD2DRD1DRD4CYP1A2
SCHEMBL7332139 0.89 DRD3 (0.45) DRD3DRD2DRD1DRD4CYP1A2
SCHEMBL7332130 0.89 DRD3 (0.45) DRD3DRD2DRD1DRD4CYP1A2
SCHEMBL7338173 0.88 DRD2 (0.47) DRD3DRD2DRD1DRD4CYP1A2
SCHEMBL7338180 0.88 DRD2 (0.47) DRD3DRD2DRD1DRD4CYP1A2
SCHEMBL7401478 0.88 ADRA1D (0.51) DRD3DRD2DRD1CYP1A2CYP3A4
SCHEMBL7401480 0.88 ADRA1D (0.51) DRD3DRD2DRD1CYP1A2CYP3A4
SCHEMBL8884960 0.81 DRD3 (0.41) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL22703437 0.79 DRD3 (0.62) DRD3DRD2DRD1DRD4CYP1A2
SCHEMBL22694040 0.79 DRD3 (0.62) DRD3DRD2DRD1DRD4CYP1A2

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