SCHEMBL7799141

SCHEMBL7799141

CCCN(CCCCCCNCCc1ccc(O)c(Cl)c1)[C@@H]1CCc2cc(O)c(NC=O)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.46
DRD2 P14416 10/20 0.46
FYN P06241 1/20 0.46
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
DRD4 P21917 2/20 0.42
HTR1A P08908 1/20 0.42
MEN1 O00255 1/20 0.42
ADRB2 P07550 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7799143 1.00 DRD3 (0.46) DRD3DRD2FYNADRA1DADRA1A
SCHEMBL7330888 0.89 DRD2 (0.52) DRD3DRD2FYNADRA1DADRA1A
SCHEMBL7330886 0.89 DRD2 (0.52) DRD3DRD2FYNADRA1DADRA1A
SCHEMBL7799078 0.87 DRD3 (0.56) DRD3DRD2FYN
SCHEMBL7799075 0.87 DRD3 (0.56) DRD3DRD2FYN
Formic Acid SCHEMBL7797225 0.87 DRD2 (0.49) DRD3DRD2FYNADRA1DADRA1A
Formic Acid SCHEMBL7797231 0.87 DRD2 (0.49) DRD3DRD2FYNADRA1DADRA1A
SCHEMBL7334491 0.86 DRD2 (0.52) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL8884984 0.85 FYN (0.36) DRD3DRD2FYNDRD4HTR1A
SCHEMBL7330855 0.85 FYN (0.42) DRD3DRD2FYNADRA1DADRA1A

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 1 patent. 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