SCHEMBL7861347

SCHEMBL7861347

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
DRD3 P35462 11/20 0.43
DRD2 P14416 9/20 0.43
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD4 P21917 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.40
ADRB2 P07550 1/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7860190 0.85 FYN (0.41) FYNDRD3DRD2CYP2D6ALDH1A1
SCHEMBL7864509 0.78 FYN (0.50) FYNDRD3DRD2CYP2D6ALDH1A1
SCHEMBL7450611 0.75 FYN (0.45) FYNDRD3DRD2CYP2D6ALDH1A1
SCHEMBL7861350 0.74 CYP19A1 (0.44) FYNDRD3DRD2CYP2D6ALDH1A1
SCHEMBL8502463 0.74 DRD3 (0.50) DRD3DRD2CYP2D6ALDH1A1CYP2C9
SCHEMBL7854688 0.72 TBXA2R (0.54) DRD3DRD2ALDH1A1MAPK1
SCHEMBL8688726 0.71 DRD3 (0.62) FYNDRD3DRD2CYP2D6ALDH1A1
SCHEMBL29605638 0.71 DRD3 (0.62) FYNDRD3DRD2CYP2D6ALDH1A1
SCHEMBL7405367 0.70 MEN1 (0.42) FYNDRD3DRD2MEN1KMT2A
SCHEMBL7405930 0.68 DRD3 (0.55) DRD3DRD2CYP2D6CYP2C9DRD4

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