SCHEMBL7329982

SCHEMBL7329982

CCCN(C(=O)CCCCCNC(=O)Cc1ccc(O)c([N+](=O)[O-])c1)C1CCc2c(ccc(OC)c2OC)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.38
ADRA1D P25100 5/20 0.38
ADRA1A P35348 5/20 0.38
ADRA1B P35368 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DRD3 P35462 4/20 0.36
TRPV1 Q8NER1 1/20 0.36
DRD1 P21728 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7341472 1.00 DRD2 (0.38) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL7339768 0.89 CA2 (0.45) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL7339761 0.89 CA2 (0.45) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL7329975 0.83 DRD2 (0.36) DRD2ADRA1DADRA1AADRA1BDRD3
SCHEMBL7329313 0.82 ADRA1D (0.41) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL7329325 0.82 ADRA1D (0.41) DRD2ADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL7363383 0.78 DRD3 (0.39) DRD2L3MBTL1DRD3CYP1A2CYP3A4
SCHEMBL7363381 0.78 DRD3 (0.39) DRD2L3MBTL1DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7329976 0.78 ADRA1D (0.54) DRD2ADRA1DADRA1AADRA1BDRD3
Hydrochloric Acid SCHEMBL7329969 0.78 ADRA1D (0.54) DRD2ADRA1DADRA1AADRA1BDRD3

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