SCHEMBL7862705

SCHEMBL7862705

CCCN(CCC)[C@H]1Cc2ccc(CN)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.60
FYN P06241 1/20 0.57
DRD2 P14416 9/20 0.54
CYP2D6 P10635 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
DRD4 P21917 2/20 0.50
HTR1A P08908 1/20 0.50
MEN1 O00255 1/20 0.50
ADRB2 P07550 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8899133 1.00 DRD3 (0.60) DRD3FYNDRD2CYP2D6ALDH1A1
SCHEMBL7862463 1.00 DRD3 (0.60) DRD3FYNDRD2CYP2D6ALDH1A1
SCHEMBL7400728 0.88 DRD3 (0.67) DRD3FYNDRD2CYP2D6DRD4
SCHEMBL7400731 0.88 DRD3 (0.67) DRD3FYNDRD2CYP2D6DRD4
SCHEMBL8693679 0.86 DRD3 (0.63) DRD3FYNDRD2CYP2D6ALDH1A1
SCHEMBL7861579 0.84 FYN (0.61) DRD3FYNDRD2CYP2D6ALDH1A1
SCHEMBL7861298 0.84 FYN (0.61) DRD3FYNDRD2CYP2D6ALDH1A1
SCHEMBL7862496 0.84 DRD3 (0.60) DRD3FYNDRD2CYP2D6ALDH1A1
SCHEMBL7861296 0.81 DRD3 (0.64) DRD3FYNDRD2CYP2D6ALDH1A1
SCHEMBL6560127 0.81 DRD3 (0.64) DRD3FYNDRD2CYP2D6ALDH1A1

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