SCHEMBL4566611

SCHEMBL4566611

O=C(O)N1CCCN(CCCN2c3ccccc3N(c3ccccc3)S2(=O)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
SLC6A2 P23975 15/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 5/20 0.45
KCNH2 Q12809 1/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 1/20 0.44
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL3605455 0.86 SLC6A2 (0.44) RORCSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3600086 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL3601924 0.80 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3616311 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3606026 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL3600221 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3608625 0.78 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2DRD2
Hydrochloric Acid SCHEMBL3605471 0.78 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL3605440 0.77 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL3608796 0.77 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2DRD2

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-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed