SCHEMBL2915792

SCHEMBL2915792

COc1ccc(-n2nc(C(=O)N3CCN(C(=O)O)CC3)cc2-c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.53
RPA1 P27694 1/20 0.51
PTGS2 P35354 6/20 0.49
CCKAR P32238 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
PTGS1 P23219 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL2917284 0.93 MGLL (0.63) MGLLRPA1PTGS2CCKARMALT1
SCHEMBL2915589 0.92 MGLL (0.63) MGLLRPA1PTGS2CCKAR
SCHEMBL2916368 0.92 MALT1 (0.55) MGLLRPA1PTGS2CCKARMALT1
SCHEMBL2919514 0.90 MGLL (0.50) MGLLRPA1PTGS2CCKARMALT1
SCHEMBL2912571 0.90 MGLL (0.52) MGLLRPA1PTGS2CCKARMALT1
SCHEMBL2919473 0.90 PTGS2 (0.62) MGLLPTGS2
SCHEMBL2909483 0.90 MGLL (0.50) MGLLRPA1PTGS2CCKARMALT1
SCHEMBL2915275 0.89 MGLL (0.49) MGLLRPA1PTGS2CCKARMALT1
SCHEMBL2915533 0.89 MGLL (0.52) MGLLRPA1PTGS2CCKARMALT1
Hydrochloric Acid SCHEMBL2920959 0.89 MGLL (0.51) MGLLRPA1PTGS2CCKARMALT1

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