SCHEMBL4064772

SCHEMBL4064772

CC(C)(C)OC(=O)N1CCCCC1CCN1c2ccccc2N(c2ccccc2)S1(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
ATM Q13315 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
TP53 P04637 2/20 0.39
CHEK2 O96017 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRMT5 O14744 1/20 0.38
OPRD1 P41143 1/20 0.38
UCHL1 P09936 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4064766 0.91 SLC6A2 (0.48) KDM1ANR1H2NR1H3SLC6A2SLC6A4
SCHEMBL4062687 0.82 GPR119 (0.55) GPR119TP53
SCHEMBL3605057 0.80 HTR6 (0.47) KDM1AGPR119SLC6A2SLC6A4
SCHEMBL4063161 0.80 GPR119 (0.52) GPR119TP53
SCHEMBL4058427 0.76 GPR119 (0.46) GPR119TP53
SCHEMBL6609250 0.75 CHEK2 (0.56) KDM1AATMCHEK2PRMT5OPRD1
SCHEMBL4059665 0.75 GPR119 (0.53) GPR119TP53
SCHEMBL3616317 0.75 GPR119 (0.43) GPR119TP53
SCHEMBL3600088 0.75 CHRM2 (0.46) GPR119
SCHEMBL6612547 0.74 NPC1 (0.57) KDM1AATMGPR119CHEK2PRMT5

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