SCHEMBL6506189

SCHEMBL6506189

CCCN1CCOC([C]=O)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.44
DRD2 P14416 2/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34

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
SCHEMBL6509059 0.90 GLB1 (0.37) DRD3DRD2DRD1DRD4DRD5
SCHEMBL6531628 0.88 EBP (0.41) DRD3DRD2DRD1DRD4DRD5
SCHEMBL6509329 0.85 DRD3 (0.38) DRD3
SCHEMBL14940771 0.82 KDM4E (0.41) DRD3
SCHEMBL14940870 0.81 SMN1; SMN2 (0.30) DRD3
SCHEMBL14941108 0.75
SCHEMBL9523061 0.75 DRD3 (0.41) DRD3DRD2
SCHEMBL24508777 0.73 DRD3 (0.49) DRD3DRD1
SCHEMBL9801716 0.73 DRD3 (0.49) DRD3DRD1
SCHEMBL26972530 0.73 DRD3 (0.49) DRD3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed