SCHEMBL7799078

SCHEMBL7799078

CCCN(CCCCCCNCCc1ccc(S(C)(=O)=O)cc1)C1CCc2cc(O)c(NC=O)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.56
DRD2 P14416 10/20 0.46
FYN P06241 1/20 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
SCHEMBL7799075 1.00 DRD3 (0.56) DRD3DRD2FYN
SCHEMBL7364686 0.92 DRD3 (0.63) DRD3DRD2FYN
SCHEMBL7364690 0.92 DRD3 (0.63) DRD3DRD2FYN
Hydrochloric Acid SCHEMBL7799975 0.92 DRD3 (0.56) DRD3DRD2FYN
Hydrochloric Acid SCHEMBL7799971 0.92 DRD3 (0.56) DRD3DRD2FYN
SCHEMBL7330888 0.90 DRD2 (0.52) DRD3DRD2FYN
SCHEMBL7330886 0.90 DRD2 (0.52) DRD3DRD2FYN
Formic Acid SCHEMBL7797231 0.88 DRD2 (0.49) DRD3DRD2FYN
Formic Acid SCHEMBL7797225 0.88 DRD2 (0.49) DRD3DRD2FYN
SCHEMBL7799143 0.87 DRD3 (0.46) DRD3DRD2FYN

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