SCHEMBL13523765

SCHEMBL13523765

C=C(NC1CCC(CC)CC1)[C@H]1CC1CN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 3/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13888272 0.89 DRD2 (0.57) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL13200866 0.89 DRD2 (0.57) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL2966787 0.89 DRD2 (0.57) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL2966785 0.89 DRD2 (0.57) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL13868721 0.78 DRD2 (0.46) DRD2DRD4DRD3KDM4EGAA
SCHEMBL13200867 0.78 DRD2 (0.48) DRD2DRD4DRD3MAPTMAPK1
SCHEMBL2961705 0.78 DRD2 (0.48) DRD2DRD4DRD3MAPTMAPK1
SCHEMBL2961702 0.78 DRD2 (0.48) DRD2DRD4DRD3MAPTMAPK1
SCHEMBL13888187 0.78 DRD2 (0.48) DRD2DRD4DRD3MAPTMAPK1
SCHEMBL13888287 0.76 DRD2 (0.46) DRD2DRD4DRD3MEN1

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
EP-1935887-B1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA INC (US) 2010-01-13 EP disclosed