SCHEMBL4079602

SCHEMBL4079602

COc1ccc(S(=O)(=O)NC2CCC(CCN3CCN(c4cccc(Cl)c4)CC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
DRD3 P35462 5/20 0.54
DRD2 P14416 4/20 0.54
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
HTR2A P28223 2/20 0.53
KCNH2 Q12809 1/20 0.53
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR6 P50406 1/20 0.52

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
SCHEMBL4078880 0.90 CRHBP (0.59) HTR7LMNASMN1; SMN2DRD3DRD2
SCHEMBL4084678 0.86 DRD2 (0.57) HTR7LMNAHTTRAB9ASMN1; SMN2
SCHEMBL4079160 0.82 DRD2 (0.60) HTR7DRD3DRD2HTR2AHTR1A
SCHEMBL4079163 0.82 DRD2 (0.60) HTR7DRD3DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL4079619 0.81 DRD2 (0.59) HTR7DRD3DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL4079616 0.81 DRD2 (0.59) HTR7DRD3DRD2HTR2AHTR1A
SCHEMBL4083822 0.81 HTR2A (0.61) DRD3DRD2HTR2AHTR1A
SCHEMBL4075504 0.81 HTR7 (0.65) HTR7MAPTTHRBDRD3DRD2
SCHEMBL4075532 0.79 DRD2 (0.54) HTR7DRD3DRD2HTR2AKCNH2
SCHEMBL4075285 0.78 DRD3 (0.57) HTR7DRD3DRD2HTR2AHTR1A

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