SCHEMBL4059629

SCHEMBL4059629

CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3cc(F)ccc3F)S2(O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
ACKR3 P25106 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
MAPK14 Q16539 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
TERT O14746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4062472 0.91 CHRM2 (0.43) ACKR3SLC6A2SLC6A3CHRM2CHRM4
SCHEMBL4059631 0.91 SLC6A2 (0.51) PLK1ACKR3SLC6A2SLC6A3CHRM2
SCHEMBL3599868 0.89 PLK1 (0.41) PLK1ACKR3SLC6A2SLC6A3CHRM2
SCHEMBL3598862 0.88 CHRM2 (0.41) PLK1ACKR3CHRM2CHRM4CHRM1
SCHEMBL3608812 0.88 CHRM2 (0.41) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4059340 0.88 ACKR3 (0.41) PLK1ACKR3SLC6A2CHRM2CHRM4
SCHEMBL4053514 0.88 CHRM2 (0.42) PLK1ACKR3CHRM2CHRM4CHRM1
SCHEMBL4055778 0.87 GPR119 (0.43) SLC6A2SLC6A3GPR119SMN1; SMN2
SCHEMBL3603309 0.87 ACKR3 (0.41) PLK1ACKR3SLC6A2SLC6A3CHRM2
SCHEMBL4056542 0.87 CHRM2 (0.41) ACKR3CHRM2CHRM4CHRM1CHRM3

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