SCHEMBL7449296

SCHEMBL7449296

CCCN(CCC)[C@@H]1CCc2ccc(N)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.70
DRD3 P35462 11/20 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
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58

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
SCHEMBL6558764 1.00 DRD2 (0.70) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6561256 0.94 DRD2 (0.67) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL30612408 0.94 DRD2 (0.67) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL9776894 0.92 DRD2 (0.59) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL9776853 0.88 DRD2 (0.54) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7861296 0.88 DRD3 (0.64) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6560127 0.88 DRD3 (0.64) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL10447131 0.87 DRD2 (0.66) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL17446285 0.84 DRD2 (0.72) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7400728 0.83 DRD3 (0.67) 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 3 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