SCHEMBL17220108

SCHEMBL17220108

N#CCC(=O)NC1CCC(CCN2CCN(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1.N#CCCCC(=O)NC1CCC(CCN2CCN(c3ccc(F)c(C#N)c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.56
DRD2 P14416 6/20 0.56
HTR2A P28223 5/20 0.44
CHRM4 P08173 1/20 0.40

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
SCHEMBL13630510 0.90 DRD3 (0.51) DRD3DRD2HTR2ACHRM4
SCHEMBL4489334 0.90 DRD3 (0.65) DRD3DRD2HTR2A
SCHEMBL4490968 0.90 DRD3 (0.51) DRD3DRD2HTR2ACHRM4
SCHEMBL13630513 0.90 DRD3 (0.65) DRD3DRD2HTR2A
SCHEMBL4480402 0.87 DRD3 (0.69) DRD3DRD2HTR2A
SCHEMBL13630511 0.87 DRD3 (0.69) DRD3DRD2HTR2A
SCHEMBL4476770 0.86 DRD3 (0.56) DRD3DRD2HTR2ACHRM4
SCHEMBL13630508 0.86 DRD3 (0.56) DRD3DRD2HTR2ACHRM4
SCHEMBL17226567 0.86 DRD3 (0.56) DRD3DRD2HTR2ACHRM4
SCHEMBL13630030 0.85 DRD3 (0.69) DRD3DRD2HTR2A

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-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP claimed