SCHEMBL5804077

SCHEMBL5804077

CCCN(C[C@H]1[C@@H]2CN(C(=O)N3CCOCC3)C[C@@H]21)C1CCc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
DRD2 P14416 7/20 0.42
DRD3 P35462 7/20 0.42
DRD4 P21917 1/20 0.40

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
SCHEMBL5804054 0.87 DRD2 (0.57) HTR1ADRD2DRD3DRD4
SCHEMBL5804053 0.87 DRD2 (0.57) HTR1ADRD2DRD3DRD4
SCHEMBL5807853 0.77 HTR1A (0.49) HTR1ADRD2DRD3DRD4
SCHEMBL3387783 0.76 DRD2 (0.51) HTR1ADRD2DRD3DRD4
SCHEMBL5790451 0.75 HTR1A (0.60) HTR1ADRD2DRD3DRD4
SCHEMBL5808854 0.75 HTR1A (0.60) HTR1ADRD2DRD3DRD4
SCHEMBL6336517 0.75 DRD2 (0.60) HTR1ADRD2DRD3DRD4
SCHEMBL6337111 0.75 DRD2 (0.60) HTR1ADRD2DRD3DRD4
SCHEMBL6346693 0.75 DRD3 (0.60) DRD2DRD3DRD4
SCHEMBL3391699 0.74 DRD2 (0.44) HTR1ADRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006016245-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO claimed
WO-2006016245-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO disclosed