SCHEMBL7533054

SCHEMBL7533054

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.44
DRD3 P35462 6/20 0.44
TRPM8 Q7Z2W7 2/20 0.42
DRD1 P21728 3/20 0.40
DRD4 P21917 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39
AGTR2 P50052 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7533056 1.00 DRD2 (0.44) DRD2DRD3TRPM8DRD1DRD4
SCHEMBL7933904 0.91 DRD2 (0.43) DRD2DRD3TRPM8DRD1DRD4
SCHEMBL7923925 0.90 DRD2 (0.43) DRD2DRD3TRPM8DRD1DRD4
SCHEMBL7338346 0.84 DRD2 (0.45) DRD2DRD3TRPM8DRD1DRD4
SCHEMBL7332690 0.84 DRD2 (0.45) DRD2DRD3TRPM8DRD1DRD4
SCHEMBL22703437 0.82 DRD3 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL22694040 0.82 DRD3 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7397344 0.82 DRD2 (0.43) DRD2DRD3TRPM8DRD1DRD4
SCHEMBL7397346 0.82 DRD2 (0.43) DRD2DRD3TRPM8DRD1DRD4
SCHEMBL22005149 0.82 DRD2 (0.47) DRD2DRD3DRD1DRD4

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 6 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-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 WO disclosed