SCHEMBL7330859

SCHEMBL7330859

CCCN(CCCCCCNCCc1ccc2[nH]c(=O)sc2c1)C1CCc2cc(O)c(NC=O)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.42
DRD3 P35462 10/20 0.41
DRD2 P14416 8/20 0.41
ADRA1D P25100 4/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38

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
SCHEMBL7330855 1.00 FYN (0.42) FYNDRD3DRD2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7339818 0.89 FYN (0.43) FYNDRD3DRD2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7339822 0.89 FYN (0.43) FYNDRD3DRD2ADRA1DADRA1A
SCHEMBL8886169 0.86 HTR1A (0.33) FYNDRD3DRD2
SCHEMBL7799143 0.85 DRD3 (0.46) FYNDRD3DRD2ADRA1DADRA1A
SCHEMBL7799141 0.85 DRD3 (0.46) FYNDRD3DRD2ADRA1DADRA1A
SCHEMBL7330888 0.84 DRD2 (0.52) FYNDRD3DRD2ADRA1DADRA1A
SCHEMBL7330886 0.84 DRD2 (0.52) FYNDRD3DRD2ADRA1DADRA1A
SCHEMBL7334012 0.84 DRD2 (0.60) DRD3DRD2
SCHEMBL7340636 0.84 ADRA1D (0.55) DRD3DRD2ADRA1DADRA1AADRA1B

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