SCHEMBL4074459

SCHEMBL4074459

CC(C)C(=O)c1ccc2c(c1)CCN(CCC1CCC(NC(=O)CCSCC(=O)O)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.47
DRD3 P35462 8/20 0.46

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
SCHEMBL4074458 1.00 DRD2 (0.47) DRD2DRD3
SCHEMBL5425909 0.86 DRD2 (0.45) DRD2DRD3
SCHEMBL5425917 0.86 DRD2 (0.45) DRD2DRD3
SCHEMBL4070649 0.84 DRD2 (0.49) DRD2DRD3
SCHEMBL4070656 0.84 DRD2 (0.49) DRD2DRD3
SCHEMBL4065022 0.84 DRD2 (0.50) DRD2DRD3
SCHEMBL4065018 0.84 DRD2 (0.50) DRD2DRD3
SCHEMBL4064585 0.84 DRD2 (0.47) DRD2DRD3
SCHEMBL4064593 0.84 DRD2 (0.47) DRD2DRD3
SCHEMBL4074425 0.83 DRD2 (0.50) DRD2DRD3

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
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP claimed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP claimed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO claimed
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP disclosed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed