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Sugi Predict / Compounds / SCHEMBL3867582

SCHEMBL3867582

SCHEMBL3867582

CCOC(=O)CN1CCC(CCN2CCN(c3cccc(C)c3C)CC2)CC1.O=C(NC1CCC(CCN2CCN(c3cccc(-c4ncco4)c3)CC2)CC1)C1=COCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 18/20 0.40
▸ DRD3 P35462 18/20 0.40
▸ HTR2A P28223 9/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ DRD1 P21728 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
SCHEMBL3852982 0.86 DRD2 (0.48) DRD2DRD3HTR2A
SCHEMBL13630403 0.86 DRD2 (0.48) DRD2DRD3HTR2A
SCHEMBL3844124 0.73 MAPT (0.56) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL14346784 0.72 DRD2 (0.55) DRD2DRD3HTR2AHTR1A
SCHEMBL13630389 0.71 DRD2 (0.52) DRD2DRD3HTR2A
SCHEMBL4489480 0.71 DRD3 (0.59) DRD2DRD3HTR2A
SCHEMBL13630402 0.71 DRD3 (0.59) DRD2DRD3HTR2A
SCHEMBL13630455 0.70 DRD2 (0.60) DRD2DRD3HTR2A
SCHEMBL14346763 0.70 DRD2 (0.60) DRD2DRD3HTR2A
SCHEMBL13637919 0.70 DRD2 (0.50) DRD2DRD3HTR2A

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