SCHEMBL7338173

SCHEMBL7338173

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.47
DRD3 P35462 9/20 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 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL7338180 1.00 DRD2 (0.47) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7332130 0.90 DRD3 (0.45) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7332139 0.90 DRD3 (0.45) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7338343 0.88 DRD3 (0.47) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7800006 0.88 DRD3 (0.47) DRD2DRD3DRD1DRD4CYP1A2
Hydrochloric Acid SCHEMBL7338342 0.85 DRD2 (0.48) DRD2DRD3DRD1DRD4CYP1A2
Hydrochloric Acid SCHEMBL7338339 0.85 DRD2 (0.48) DRD2DRD3DRD1DRD4CYP1A2
Hydrochloric Acid SCHEMBL8885133 0.78 DRD2 (0.42) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL22703437 0.78 DRD3 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL22694040 0.78 DRD3 (0.62) DRD2DRD3DRD1DRD4CYP1A2

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