Sugi Predict

Sugi Predict / Compounds / SCHEMBL3853616

SCHEMBL3853616

SCHEMBL3853616

CC(C)Cc1cccc(N2CCN(CCC3CCN(C(=O)O)CC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.48
▸ DRD3 P35462 8/20 0.48
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ VCP P55072 1/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ HTR1A P08908 1/20 0.43

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
SCHEMBL4496072 0.87 GPR119 (0.54) DRD2DRD3VCP
SCHEMBL3845038 0.87 DRD2 (0.47) DRD2DRD3SLC6A2SLC6A4VCP
SCHEMBL3849039 0.84 DRD2 (0.49) DRD2DRD3VCPHTR1A
SCHEMBL17226505 0.82 VCP (0.44) DRD2DRD3SLC6A2SLC6A4VCP
SCHEMBL3844622 0.80 DRD2 (0.49) DRD2DRD3
SCHEMBL4500313 0.79 CHRM4 (0.58) DRD2DRD3CHRM4
SCHEMBL3853613 0.79 DRD2 (0.53) DRD2DRD3HTR1A
SCHEMBL4491079 0.78 DRD2 (0.57) DRD2DRD3
Hydrochloric Acid SCHEMBL17219816 0.78 DRD2 (0.56) DRD2DRD3
SCHEMBL3849915 0.78 MAPT (0.49) DRD2DRD3HTR1A

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-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 — — EP disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 — — WO disclosed