SCHEMBL4056547

SCHEMBL4056547

CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3cccc(F)c3F)S2(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.43
SLC6A3 Q01959 6/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A4 P31645 3/20 0.41
GPR119 Q8TDV5 2/20 0.40
ACKR3 P25106 1/20 0.40
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
TERT O14746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL3598865 0.93 CHRM2 (0.41) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4062477 0.93 SLC6A2 (0.50) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4056335 0.91 SLC6A2 (0.48) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4056542 0.90 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL3608813 0.90 SLC6A2 (0.47) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3603719 0.88 SLC6A2 (0.46) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4059631 0.87 SLC6A2 (0.51) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4066284 0.87 GPR119 (0.45) SLC6A2SLC6A3SLC6A4GPR119KDM4E
SCHEMBL3594835 0.86 SLC6A2 (0.46) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4059344 0.86 SLC6A2 (0.46) 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