SCHEMBL4565079

SCHEMBL4565079

O=C(O)N1CCCCC1CN1c2cccc(F)c2N(c2ccccc2)S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 4/20 0.36
KCNH2 Q12809 2/20 0.36
DPP4 P27487 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CYP3A4 P08684 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
FFAR1 O14842 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL4565604 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HRH3
SCHEMBL4565249 0.77 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3DPP4HCRTR1
SCHEMBL3616581 0.75 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3611143 0.74 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4064084 0.72 GPR119 (0.47)
SCHEMBL3616320 0.69 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3607542 0.68 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL3601069 0.68 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4063277 0.68 GPR119 (0.48) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3607788 0.68 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2

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