SCHEMBL7411429

SCHEMBL7411429

CCCN(CCC)C1CCc2ccc(Br)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.70
DRD3 P35462 10/20 0.70
DRD4 P21917 5/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HTR1A P08908 2/20 0.70
ADRB2 P07550 1/20 0.70
CYP2D6 P10635 1/20 0.70
CASP1 P29466 1/20 0.70
LMNA P02545 2/20 0.68
MAPT P10636 1/20 0.68
FYN P06241 1/20 0.62

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
SCHEMBL7411424 1.00 DRD2 (0.70) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6931453 0.94 DRD2 (0.67) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7854718 0.88 DRD3 (0.64) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL8689650 0.88 DRD3 (0.64) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7854684 0.88 DRD3 (0.64) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL8103867 0.84 DRD3 (0.55) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL8103863 0.84 DRD3 (0.55) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL17446285 0.84 DRD2 (0.72) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6558764 0.82 DRD2 (0.70) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL623950 0.82 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084130-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US disclosed
EP-0923542-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1999-06-23 EP disclosed
WO-1997045403-A1 ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-12-04 WO disclosed
US-5225596-A Halo substituted aminotetralins THE UPJOHN COMPANY (US) 1993-07-06 US disclosed
EP-0452390-A1 HALO SUBSTITUTED AMINOTETRALINS. UPJOHN CO (US) 1991-10-23 EP disclosed
WO-1990007490-A1 HALO SUBSTITUTED AMINOTETRALINS THE UPJOHN COMPANY (US) 1990-07-12 WO disclosed