SCHEMBL2409727

SCHEMBL2409727

CN(Cc1cn(S(=O)(=O)C2CCCCC2)c(-c2cccnc2F)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.41
SLC6A4 P31645 8/20 0.41
HTR2A P28223 1/20 0.39
HTR6 P50406 2/20 0.36
KAT7 O95251 1/20 0.33
STAT3 P40763 1/20 0.32
COMT P21964 2/20 0.32
AAK1 Q2M2I8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
SSTR4 P31391 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PTGS2 P35354 1/20 0.30
PTK2 Q05397 1/20 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
SCHEMBL2414431 0.88 HTR6 (0.39) HTR6STAT3COMTFFAR4EDNRB
SCHEMBL2409045 0.86 HTR2C (0.36) HTR2CSLC6A4HTR2ACOMTSSTR4
SCHEMBL2407101 0.85 HTR2C (0.36) HTR2CSLC6A4HTR2ACOMTAAK1
SCHEMBL1834426 0.83 HTR2C (0.33) HTR2CSLC6A4HTR2ASSTR4EDNRB
SCHEMBL2410515 0.83 HTR2C (0.33) HTR2CSLC6A4HTR2ASSTR4
SCHEMBL2414689 0.83 RIPK1 (0.35) HTR2CSLC6A4HTR2AHTR6SSTR4
SCHEMBL2412160 0.82 HTR2C (0.33) HTR2CSLC6A4HTR2ASSTR4
SCHEMBL1832615 0.82 TACR1 (0.33) HTR2CSLC6A4HTR2ASSTR4
SCHEMBL2409441 0.82 HTR2C (0.35) HTR2CSLC6A4HTR2AHTR6SSTR4
SCHEMBL2409732 0.82 HTR6 (0.34) HTR6COMTFFAR4PTGS2

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