SCHEMBL798604

SCHEMBL798604

O=S(=O)(NCCCCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccc2ccccc2c1Cl

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.57
HTR6 P50406 13/20 0.57
DRD2 P14416 13/20 0.57
HTR1A P08908 12/20 0.57
HTR2A P28223 10/20 0.57
DRD3 P35462 5/20 0.57
ADRA1A P35348 2/20 0.57
FAAH O00519 1/20 0.49
CNR1 P21554 1/20 0.49
SLC6A4 P31645 1/20 0.48
HTR2C P28335 1/20 0.47
DRD4 P21917 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 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
SCHEMBL797243 0.86 DRD2 (0.57) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL797963 0.84 DRD2 (0.53) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL792847 0.83 DRD2 (0.67) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL791263 0.82 DRD2 (0.58) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL798515 0.82 DRD2 (0.54) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL798753 0.82 DRD2 (0.50) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL792805 0.82 DRD2 (0.53) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL792428 0.81 HTR7 (0.56) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL792818 0.81 HTR7 (0.62) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL792581 0.79 HTR7 (0.56) HTR7HTR6DRD2HTR1AHTR2A

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
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP claimed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 WO claimed