SCHEMBL2411546

SCHEMBL2411546

Cc1occc1S(=O)(=O)n1cc(CN(C)C(=O)OC(C)(C)C)c(F)c1-c1cccnc1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
HTR2C P28335 4/20 0.31
SLC6A4 P31645 4/20 0.31
HTR2A P28223 1/20 0.31
EDNRB P24530 2/20 0.30
EDNRA P25101 2/20 0.30

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
Hydrochloric Acid SCHEMBL4414493 0.95 SSTR4 (0.31) SSTR4EDNRA
SCHEMBL1834426 0.90 HTR2C (0.33) SSTR4HTR2CSLC6A4HTR2AEDNRB
SCHEMBL2414996 0.89 EDNRB (0.32) EDNRBEDNRA
SCHEMBL2411934 0.88 RXFP1 (0.33) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL2412160 0.86 HTR2C (0.33) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL1832615 0.86 TACR1 (0.33) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL1830820 0.86 GPBAR1 (0.32) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL2408895 0.86 SSTR4 (0.32) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL1834859 0.86 SSTR4 (0.33) SSTR4HTR2CSLC6A4HTR2A
SCHEMBL2414689 0.85 RIPK1 (0.35) SSTR4HTR2CSLC6A4HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed