SCHEMBL7861355

SCHEMBL7861355

CCCN(CCC)C1Cc2cc(CS(=O)(=O)c3ccccc3)c(CS(=O)(=O)c3ccccc3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.55
DRD2 P14416 4/20 0.49
FYN P06241 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR1A P08908 1/20 0.46
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL7860144 0.86 DRD3 (0.66) DRD3DRD2FYNHTR1A
SCHEMBL8502708 0.75 DRD3 (0.54) DRD3DRD2FYNALDH1A1HTR1A
SCHEMBL7854627 0.74 DRD3 (0.67) DRD3DRD2FYNALDH1A1CYP2D6
SCHEMBL7864498 0.73 DRD3 (0.51) DRD3DRD2ALDH1A1HTR1A
SCHEMBL8688812 0.73 DRD3 (1.00) DRD3DRD2FYNALDH1A1CYP2D6
SCHEMBL8688726 0.72 DRD3 (0.62) DRD3DRD2FYNALDH1A1CYP2D6
SCHEMBL29605638 0.72 DRD3 (0.62) DRD3DRD2FYNALDH1A1CYP2D6
SCHEMBL7860284 0.72 DRD3 (0.63) DRD3DRD2FYN
SCHEMBL7860122 0.70 FYN (0.64) DRD3DRD2FYNALDH1A1CYP2D6
SCHEMBL7402515 0.70 FYN (0.69) DRD3DRD2FYNALDH1A1CYP2D6

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