SCHEMBL7330888

SCHEMBL7330888

CCCN(CCCCCCNCCc1ccccc1)C1CCc2cc(O)c(NC=O)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.52
DRD3 P35462 7/20 0.52
DRD4 P21917 2/20 0.52
FYN P06241 1/20 0.49
DRD1 P21728 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
LMNA P02545 1/20 0.47
PMP22 Q01453 1/20 0.47
ADRA1D P25100 4/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1B P35368 4/20 0.46

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
SCHEMBL7330886 1.00 DRD2 (0.52) DRD2DRD3DRD4FYNDRD1
Formic Acid SCHEMBL7797225 0.98 DRD2 (0.49) DRD2DRD3DRD4FYNDRD1
Formic Acid SCHEMBL7797231 0.98 DRD2 (0.49) DRD2DRD3DRD4FYNDRD1
Hydrochloric Acid SCHEMBL7797071 0.90 DRD2 (0.53) DRD2DRD3DRD4FYNDRD1
Hydrochloric Acid SCHEMBL7797069 0.90 DRD2 (0.53) DRD2DRD3DRD4FYNDRD1
SCHEMBL7799078 0.90 DRD3 (0.56) DRD2DRD3FYN
SCHEMBL7799075 0.90 DRD3 (0.56) DRD2DRD3FYN
Hydrochloric Acid SCHEMBL7353318 0.90 FYN (0.60) DRD2DRD3DRD4FYNDRD1
Hydrochloric Acid SCHEMBL7353323 0.90 FYN (0.60) DRD2DRD3DRD4FYNDRD1
SCHEMBL7799143 0.89 DRD3 (0.46) DRD2DRD3DRD4FYNCYP2D6

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