SCHEMBL2917656

SCHEMBL2917656

COc1ccc(-n2nc(C(=O)N3CCN(C(=O)O)CC3)cc2-c2cc(S(C)(=O)=O)ccn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.41
MGLL Q99685 4/20 0.38
PTGS1 P23219 1/20 0.36
EPHX2 P34913 1/20 0.36
CHRNA7 P36544 1/20 0.36
CFTR P13569 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CCKAR P32238 1/20 0.36

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
SCHEMBL2915269 0.92 CHRNA7 (0.42) PTGS2MGLLCHRNA7
SCHEMBL2910138 0.90 GPR119 (0.49) PTGS2CFTRGPR119
SCHEMBL2911608 0.81 MGLL (0.46) PTGS2MGLLCFTRCCKAR
SCHEMBL2915792 0.81 MGLL (0.53) PTGS2MGLLPTGS1EPHX2CCKAR
SCHEMBL2921251 0.80 MGLL (0.45) PTGS2MGLLCFTRCCKAR
SCHEMBL2918291 0.80 HPGD (0.46) PTGS2MGLLCHRNA7CFTR
SCHEMBL2915598 0.79 MALT1 (0.42) PTGS2MGLLCHRNA7CCKAR
SCHEMBL2916599 0.78 MGLL (0.43) MGLLCFTRCCKAR
SCHEMBL2918775 0.78 PTGS2 (0.52) PTGS2MGLLCCKAR
SCHEMBL2920392 0.78 MGLL (0.42) PTGS2MGLLCFTRCCKAR

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-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed