SCHEMBL3703100

SCHEMBL3703100

Cc1c(F)cccc1-n1nc(CN(C)C(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccnc1.Cc1ccc(S(=O)(=O)c2cc(CN(C)C(=O)OC(C)(C)C)nn2-c2cccc(F)c2C)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.36
SLC6A4 P31645 7/20 0.36
HTR2A P28223 1/20 0.36
NAMPT P43490 5/20 0.34
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
PTGER2 P43116 2/20 0.32
F2 P00734 3/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 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
SCHEMBL3700700 0.95 HTR2C (0.38) HTR2CSLC6A4HTR2ANAMPTF2
SCHEMBL3699812 0.95 HTR2C (0.38) HTR2CSLC6A4HTR2AABCC9ABCC8
SCHEMBL3700608 0.90 HTR2C (0.40) HTR2CSLC6A4HTR2ANAMPT
SCHEMBL3695801 0.89 HTR2C (0.38) HTR2CSLC6A4HTR2ANAMPTABCC9
SCHEMBL3808572 0.89 HTR2C (0.41) HTR2CSLC6A4HTR2ANAMPTABCC9
SCHEMBL3697673 0.88 HTR2C (0.39) HTR2CSLC6A4HTR2ARXRAGRIN1
SCHEMBL3688570 0.85 HTR2C (0.38) HTR2CSLC6A4HTR2ARXRAGRIN1
SCHEMBL3701316 0.85 HTR2C (0.38) HTR2CSLC6A4HTR2ANAMPTABCC9
SCHEMBL4566347 0.85 HTR2C (0.39) HTR2CSLC6A4HTR2AABCC9ABCC8
SCHEMBL3693157 0.84 HTR2C (0.43) HTR2CSLC6A4HTR2ANAMPTABCC9

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