SCHEMBL3698341

SCHEMBL3698341

Cc1ccc(-n2nc(CN(C)C(=O)OC(C)(C)C)cc2S(=O)(=O)c2ccc(C)nc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.38
SLC6A4 P31645 8/20 0.38
HTR2A P28223 1/20 0.38
GPR119 Q8TDV5 3/20 0.33
NAMPT P43490 2/20 0.32
F2 P00734 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1C Q13936 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PTGS2 P35354 1/20 0.30
TSHR P16473 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
SCHEMBL3700225 0.92 HTR2C (0.39) HTR2CSLC6A4HTR2AGPR119F2
SCHEMBL3700608 0.91 HTR2C (0.40) HTR2CSLC6A4HTR2ANAMPTTSHR
SCHEMBL3701316 0.89 HTR2C (0.38) HTR2CSLC6A4HTR2ANAMPTF2
SCHEMBL3700700 0.89 HTR2C (0.38) HTR2CSLC6A4HTR2ANAMPTF2
SCHEMBL3709941 0.88 PTGS2 (0.33) NAMPTMAPTPTGS2TSHR
SCHEMBL3706785 0.87 HTR2C (0.40) HTR2CSLC6A4HTR2ALMNATP53
SCHEMBL3697102 0.85 HTR2C (0.41) HTR2CSLC6A4HTR2ANAMPT
SCHEMBL3696324 0.85 HTR2C (0.40) HTR2CSLC6A4HTR2AF2
SCHEMBL3688570 0.85 HTR2C (0.38) HTR2CSLC6A4HTR2ALMNATSHR
SCHEMBL3703100 0.84 HTR2C (0.36) HTR2CSLC6A4HTR2ANAMPTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed