SCHEMBL2408620

SCHEMBL2408620

CN(Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(F)c2F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.36
SLC6A4 P31645 7/20 0.36
HTR2A P28223 1/20 0.33
RIPK1 Q13546 2/20 0.33
GLS O94925 1/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
PDK2 Q15119 1/20 0.32
TACR1 P25103 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
SSTR4 P31391 1/20 0.31
CPB2 Q96IY4 1/20 0.31
MGLL Q99685 1/20 0.31
USP19 O94966 1/20 0.31
CYP3A4 P08684 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL2409374 0.90 HTR2C (0.40) HTR2CSLC6A4HTR2ARIPK1KAT6A
SCHEMBL5003485 0.88 USP19 (0.36) RIPK1TACR1USP19
SCHEMBL2409950 0.88 HTR6 (0.38) HTR2CSLC6A4HTR2ARIPK1KAT6A
SCHEMBL2415723 0.88 HTR2C (0.39) HTR2CSLC6A4HTR2AGLSKAT6A
SCHEMBL2412876 0.87 PTGDR2 (0.39) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL2414740 0.87 HTR2C (0.37) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL31187457 0.86 KAT8 (0.35) HTR2CSLC6A4HTR2AGLSKAT6A
SCHEMBL31248540 0.86 EED (0.33) HTR2CSLC6A4GLSKAT6AKAT5
SCHEMBL2412420 0.86 GRM4 (0.38) HTR2CSLC6A4HTR2AKAT6AKAT5
SCHEMBL31248527 0.86 HTR2C (0.33) HTR2CSLC6A4HTR2ATACR1

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