SCHEMBL4079148

SCHEMBL4079148

CCOc1cc(Br)ccc1N1CCN(CCC2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
DRD2 P14416 5/20 0.42
DRD3 P35462 5/20 0.42
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 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
SCHEMBL4079151 0.87 DRD2 (0.49) LMNADRD2DRD3ACHEHTR4
SCHEMBL3848840 0.77 DRD2 (0.61) DRD2DRD3KDM4ETDP1HTR1A
SCHEMBL4087022 0.76 HTR1A (0.49) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL4082050 0.75 ADRA1D (0.52) LMNADRD2DRD3L3MBTL1ADRA1D
SCHEMBL3847628 0.74 DRD2 (0.47) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL7057971 0.74 DRD2 (0.45) DRD2DRD3KDM4EL3MBTL1ADRA1D
SCHEMBL3849810 0.74 DRD2 (0.45) DRD2DRD3ADRA1AKMT2AHTR1A
SCHEMBL3846978 0.74 ADRA1B (0.48) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL4502968 0.73 DRD2 (0.59) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL3853456 0.72 DRD2 (0.50) DRD2DRD3L3MBTL1

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
US-7473692-B2 Sulfonamide derivatives as D3-receptor ligands RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-01-06 US claimed
EP-1438302-B1 NEW SULFONAMIDE DERIVATIVES AS D3-RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2012-05-30 EP disclosed