SCHEMBL7860190

SCHEMBL7860190

CCCN(CCC)C1Cc2cc(C(N)S(=O)(=O)c3ccc(C#N)cc3)c(C(N)S(=O)(=O)c3ccc(C#N)cc3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
DRD3 P35462 7/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD2 P14416 5/20 0.37
DRD4 P21917 3/20 0.37

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
SCHEMBL7861347 0.85 FYN (0.44) FYNDRD3ALDH1A1CYP2D6CYP2C9
SCHEMBL7860284 0.76 DRD3 (0.63) FYNDRD3DRD2
SCHEMBL7860194 0.76 CYP19A1 (0.48) FYNDRD3ALDH1A1CYP2D6CYP2C9
SCHEMBL7864509 0.75 FYN (0.50) FYNDRD3ALDH1A1CYP2D6CYP2C9
SCHEMBL8694386 0.74 DRD3 (0.58) FYNDRD3ALDH1A1CYP2D6CYP2C9
SCHEMBL7861583 0.74 CYP19A1 (0.54) DRD3DRD2
SCHEMBL8094252 0.70 DRD3 (0.54) DRD3CYP2D6CYP2C9DRD2DRD4
SCHEMBL8094256 0.70 DRD3 (0.54) DRD3CYP2D6CYP2C9DRD2DRD4
SCHEMBL7453175 0.70 FYN (0.44) FYNDRD3ALDH1A1CYP2D6CYP2C9
SCHEMBL7408204 0.69 DRD3 (0.54) DRD3CYP2D6DRD2DRD4

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-0807101-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 2001-06-13 EP disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
EP-0807101-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-11-19 EP disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 WO disclosed