SCHEMBL8299573

SCHEMBL8299573

CCN1CCC(c2cccc(-c3ccccc3)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.52
DRD3 P35462 11/20 0.52
DRD1 P21728 8/20 0.50
DRD4 P21917 8/20 0.50
DRD5 P21918 8/20 0.50
HTR1A P08908 7/20 0.50

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
SCHEMBL9912160 0.85 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22307922 0.85 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
SCHEMBL23374660 0.85 DRD2 (0.66) DRD2DRD3DRD1DRD4DRD5
SCHEMBL30878617 0.81 DRD3 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21148630 0.80 DRD3 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL8300543 0.80 DRD3 (0.78) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12319791 0.78 DRD2 (0.60) DRD2DRD3
SCHEMBL2280294 0.78 QDPR (0.51) DRD2DRD3
SCHEMBL14136275 0.77 DRD2 (0.71) DRD2DRD3DRD1DRD4DRD5
SCHEMBL1003503 0.77 DRD2 (0.73) DRD2DRD3DRD1DRD4DRD5

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
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed