SCHEMBL4056335

SCHEMBL4056335

CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3c(F)cccc3F)S2(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.48
SLC6A3 Q01959 6/20 0.48
KCNH2 Q12809 1/20 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
ACKR3 P25106 2/20 0.40
SLC6A4 P31645 3/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
TERT O14746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 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
SCHEMBL3603719 0.96 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2CHRM2CHRM4
SCHEMBL4059344 0.92 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2CHRM2CHRM4
SCHEMBL4062477 0.92 SLC6A2 (0.50) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL4056547 0.91 SLC6A2 (0.43) SLC6A2SLC6A3KCNH2CHRM2CHRM4
SCHEMBL4056334 0.90 CHRM2 (0.42) SLC6A2SLC6A3KCNH2CHRM2CHRM4
SCHEMBL4054208 0.90 GPR119 (0.41) SLC6A2SLC6A3KCNH2CHRM2CHRM4
SCHEMBL3612246 0.89 SLC6A2 (0.43) SLC6A2SLC6A3KCNH2CHRM2CHRM4
SCHEMBL3608813 0.89 SLC6A2 (0.47) SLC6A2SLC6A3CHRM2CHRM4CHRM1
SCHEMBL3601740 0.87 PLK1 (0.41) SLC6A2SLC6A3SLC6A4TP53MAPT
SCHEMBL3603717 0.87 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3ACKR3

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