SCHEMBL4056542

SCHEMBL4056542

CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3cccc(F)c3F)S2(O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
ACKR3 P25106 3/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
TERT O14746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CXCR2 P25025 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
DRD2 P14416 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
SCHEMBL3598862 0.93 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL4062472 0.93 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL4056334 0.91 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL4056547 0.90 SLC6A2 (0.43) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL3608812 0.90 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL3603717 0.88 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL4059629 0.87 PLK1 (0.43) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL4066283 0.87 GPR119 (0.45) GPR119KDM4EMAPTSMN1; SMN2
SCHEMBL3594833 0.86 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3GPR119
SCHEMBL4059340 0.86 ACKR3 (0.41) CHRM2CHRM4CHRM1CHRM3GPR119

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