SCHEMBL7450377

SCHEMBL7450377

CCCN(CCC)C1Cc2cnc(CNC(=O)c3ccc(Cl)cc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.43
DRD3 P35462 14/20 0.43
DRD4 P21917 2/20 0.42
FYN P06241 1/20 0.41

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
SCHEMBL7457880 0.86 NAMPT (0.42) DRD2DRD3FYN
SCHEMBL7404035 0.82 FYN (0.49) DRD2DRD3DRD4FYN
SCHEMBL7405367 0.80 MEN1 (0.42) DRD2DRD3FYN
SCHEMBL7408334 0.77 DRD3 (0.61) DRD2DRD3DRD4
SCHEMBL7408331 0.77 DRD3 (0.61) DRD2DRD3DRD4
SCHEMBL7403573 0.75 DRD3 (0.67) DRD2DRD3DRD4
SCHEMBL7403568 0.75 DRD3 (0.67) DRD2DRD3DRD4
SCHEMBL7405701 0.74 IDO1 (0.44) FYN
SCHEMBL7401141 0.71 FYN (0.54) DRD2DRD3DRD4FYN
SCHEMBL7408566 0.70 FYN (0.48) DRD2DRD3DRD4FYN

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