SCHEMBL4075434

SCHEMBL4075434

O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCC(CCN3CCN(c4ccccc4F)CC3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
HTR2A P28223 8/20 0.56
DRD3 P35462 6/20 0.56
HTR1A P08908 3/20 0.49
KDM4E B2RXH2 1/20 0.46
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4079207 0.83 DRD2 (0.64) DRD2HTR2ADRD3HTR1AKDM4E
SCHEMBL4075504 0.80 HTR7 (0.65) DRD2HTR2ADRD3HTR1AHTR7
SCHEMBL4088191 0.78 DRD2 (0.57) DRD2HTR2ADRD3HTR1AHTR7
SCHEMBL17526212 0.75 CA2 (0.63) ALDH1A1LMNAGAAKMT2A
SCHEMBL16372325 0.75 MEN1 (0.46) DRD2ALDH1A1LMNAMAPTKMT2A
SCHEMBL4075529 0.74 DRD2 (0.57) DRD2HTR2ADRD3HTR1AHTR7
SCHEMBL13924089 0.73 PKM (0.54) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL12478550 0.71 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12478519 0.71 DRD2 (1.00) DRD2HTR2ADRD3
SCHEMBL12478625 0.71 DRD2 (1.00) DRD2HTR2ADRD3

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