SCHEMBL7338013

SCHEMBL7338013

CCCN(C(=O)CCCCC(=O)NCCc1ccc(C(=O)O)cc1)C1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.40
DRD2 P14416 10/20 0.38
MTNR1A P48039 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
AGTR2 P50052 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7338007 1.00 DRD3 (0.40) DRD3DRD2MTNR1AHDAC3HDAC4
SCHEMBL7797096 0.94 DRD3 (0.40) DRD3DRD2MTNR1AHDAC3HDAC4
SCHEMBL7797091 0.94 DRD3 (0.40) DRD3DRD2MTNR1AHDAC3HDAC4
SCHEMBL7332690 0.85 DRD2 (0.45) DRD3DRD2AGTR2CYP1A2CYP3A4
SCHEMBL7338346 0.85 DRD2 (0.45) DRD3DRD2AGTR2CYP1A2CYP3A4
SCHEMBL7397344 0.83 DRD2 (0.43) DRD3DRD2AGTR2CYP1A2CYP3A4
SCHEMBL7397346 0.83 DRD2 (0.43) DRD3DRD2AGTR2CYP1A2CYP3A4
SCHEMBL7329313 0.81 ADRA1D (0.41) DRD3DRD2MTNR1A
SCHEMBL7329325 0.81 ADRA1D (0.41) DRD3DRD2MTNR1A
SCHEMBL7533054 0.75 DRD2 (0.44) DRD3DRD2AGTR2CYP1A2CYP3A4

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