SCHEMBL4082050

SCHEMBL4082050

COc1ccc(Cl)cc1N1CCN(CCC2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.52
ADRA1A P35348 5/20 0.52
ADRA1B P35368 5/20 0.52
FFAR4 Q5NUL3 1/20 0.52
LMNA P02545 1/20 0.51
DRD2 P14416 5/20 0.49
DRD3 P35462 4/20 0.49
DRD4 P21917 2/20 0.49
HTR1A P08908 1/20 0.48
DRD1 P21728 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4082053 0.87 DRD2 (0.57) ADRA1DADRA1AADRA1BFFAR4LMNA
SCHEMBL3847613 0.86 DRD2 (0.51) ADRA1DDRD2DRD3DRD1HTR2A
SCHEMBL3848840 0.86 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2C
SCHEMBL3849464 0.84 FFAR4 (0.51) ADRA1DADRA1AADRA1BFFAR4LMNA
SCHEMBL3853456 0.83 DRD2 (0.50) DRD2DRD3MAPTL3MBTL1
SCHEMBL13630022 0.80 DRD3 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4492199 0.80 DRD3 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL3851239 0.80 DRD2 (0.64) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL13630261 0.78 DRD3 (0.56) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4490269 0.78 DRD3 (0.56) DRD2DRD3DRD4HTR1ADRD1

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
US-7473692-B2 Sulfonamide derivatives as D3-receptor ligands RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-01-06 US claimed