SCHEMBL4079151

SCHEMBL4079151

CCOc1cc(Br)ccc1N1CCN(CCC2CCC(N)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
DRD3 P35462 7/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 3/20 0.38
LMNA P02545 1/20 0.38
CCR5 P51681 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36

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
SCHEMBL4079148 0.87 LMNA (0.52) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL7057971 0.78 DRD2 (0.45) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL4087022 0.78 HTR1A (0.49) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL30855296 0.75 DRD2 (0.66) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL3848845 0.75 DRD2 (0.66) DRD2DRD3HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL4076895 0.72 DRD2 (0.53) DRD2DRD3HTR1AHTR2AADRA1D
Hydrochloric Acid SCHEMBL4076893 0.72 DRD2 (0.53) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL3849814 0.71 DRD2 (0.54) DRD2DRD3HTR1AHTR2AADRA1B
SCHEMBL3847633 0.71 DRD2 (0.56) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL4082053 0.71 DRD2 (0.57) DRD2DRD3ADRA1DADRA1AADRA1B

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