SCHEMBL7363376

SCHEMBL7363376

CCCN(C(=O)CCCCCN(C(C)=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2cc(OC)c([N+](=O)[O-])cc2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.40
DRD2 P14416 9/20 0.40
DRD4 P21917 2/20 0.33
ALDH1A1 P00352 1/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
VDR P11473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCHR1 Q99705 1/20 0.31

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
SCHEMBL7333561 0.84 DRD2 (0.36) DRD3DRD2ALDH1A1
SCHEMBL7363381 0.84 DRD3 (0.39) DRD3DRD2ALDH1A1TDP1L3MBTL1
SCHEMBL7363383 0.84 DRD3 (0.39) DRD3DRD2ALDH1A1TDP1L3MBTL1
SCHEMBL7329975 0.78 DRD2 (0.36) DRD3DRD2
SCHEMBL7799999 0.72 DRD3 (0.34) DRD3DRD2ALDH1A1L3MBTL1
SCHEMBL7800001 0.72 DRD3 (0.34) DRD3DRD2ALDH1A1L3MBTL1
SCHEMBL7333573 0.71 ACACB (0.32) DRD2ALDH1A1
SCHEMBL10895464 0.71 ALDH1A1 (0.58) DRD3DRD2DRD4ALDH1A1
SCHEMBL7339757 0.70 DRD3 (0.40) DRD3DRD2
SCHEMBL11290233 0.66 ALDH1A1 (0.44) 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