SCHEMBL7363381

SCHEMBL7363381

CCCN(C(=O)CCCCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCc2cc(OC)c([N+](=O)[O-])cc2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.39
DRD2 P14416 4/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RORC P51449 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL7363383 1.00 DRD3 (0.39) DRD3DRD2POLBL3MBTL1CYP1A2
SCHEMBL7799999 0.84 DRD3 (0.34) DRD3DRD2L3MBTL1CYP1A2CYP3A4
SCHEMBL7800001 0.84 DRD3 (0.34) DRD3DRD2L3MBTL1CYP1A2CYP3A4
SCHEMBL7363376 0.84 DRD3 (0.40) DRD3DRD2L3MBTL1ALDH1A1TDP1
SCHEMBL7329982 0.78 DRD2 (0.38) DRD3DRD2L3MBTL1CYP1A2CYP3A4
SCHEMBL7341472 0.78 DRD2 (0.38) DRD3DRD2L3MBTL1CYP1A2CYP3A4
SCHEMBL7334980 0.71 DRD3 (0.47) DRD3DRD2
SCHEMBL7339761 0.71 CA2 (0.45) DRD3DRD2L3MBTL1
SCHEMBL7339768 0.71 CA2 (0.45) DRD3DRD2L3MBTL1
SCHEMBL7333561 0.71 DRD2 (0.36) DRD3DRD2ALDH1A1

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