SCHEMBL4059631

SCHEMBL4059631

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.51
SLC6A3 Q01959 9/20 0.51
KCNH2 Q12809 1/20 0.51
PLK1 P53350 1/20 0.43
ACKR3 P25106 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A4 P31645 6/20 0.40
GPR119 Q8TDV5 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
SCHEMBL4062477 0.91 SLC6A2 (0.50) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL4059629 0.91 PLK1 (0.43) SLC6A2SLC6A3KCNH2PLK1ACKR3
SCHEMBL3599871 0.89 SLC6A2 (0.48) SLC6A2SLC6A3KCNH2PLK1ACKR3
SCHEMBL4059344 0.88 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2PLK1ACKR3
SCHEMBL3608813 0.88 SLC6A2 (0.47) SLC6A2SLC6A3ACKR3CHRM2CHRM4
SCHEMBL3598865 0.88 CHRM2 (0.41) SLC6A2SLC6A3KCNH2ACKR3CHRM2
SCHEMBL4053517 0.88 SLC6A2 (0.48) SLC6A2SLC6A3PLK1ACKR3CHRM2
SCHEMBL4055780 0.87 SLC6A2 (0.52) SLC6A2SLC6A3KCNH2SLC6A4GPR119
SCHEMBL3603312 0.87 SLC6A2 (0.51) SLC6A2SLC6A3PLK1ACKR3CHRM2
SCHEMBL4056547 0.87 SLC6A2 (0.43) SLC6A2SLC6A3KCNH2ACKR3CHRM2

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