SCHEMBL4053517

SCHEMBL4053517

CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3ccc(F)cc3)S2(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.48
SLC6A3 Q01959 4/20 0.48
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
PLK1 P53350 1/20 0.41
SLC6A4 P31645 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACKR3 P25106 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TERT O14746 1/20 0.39

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
SCHEMBL4058421 0.92 SLC6A2 (0.48) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4053514 0.90 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3PLK1
SCHEMBL3603312 0.90 SLC6A2 (0.51) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3616311 0.88 SLC6A2 (0.45) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4062477 0.88 SLC6A2 (0.50) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4059631 0.88 SLC6A2 (0.51) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4059344 0.87 SLC6A2 (0.46) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4056335 0.86 SLC6A2 (0.48) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3600086 0.86 SLC6A2 (0.47) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4056547 0.85 SLC6A2 (0.43) SLC6A2SLC6A3CHRM2CHRM4CHRM1

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