SCHEMBL4059340

SCHEMBL4059340

CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3c(F)cc(F)cc3F)S2(O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PLK1 P53350 1/20 0.40
TERT O14746 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
MAPK14 Q16539 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 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
SCHEMBL3612242 0.96 ACKR3 (0.39) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4056334 0.92 CHRM2 (0.42) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4059344 0.91 SLC6A2 (0.46) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL3603717 0.89 CHRM2 (0.40) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4062472 0.88 CHRM2 (0.43) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4059629 0.88 PLK1 (0.43) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL3612246 0.87 SLC6A2 (0.43) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL3599868 0.87 PLK1 (0.41) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL4053514 0.87 CHRM2 (0.42) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL3603309 0.86 ACKR3 (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