SCHEMBL5482265

SCHEMBL5482265

CC(C)(C)C1CC(c2cn(-c3ccc(F)cc3)nn2)=CCN1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 12/20 0.57
GRM5 P41594 10/20 0.57
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
FLT3 P36888 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPK14 Q16539 2/20 0.37
CSNK1D P48730 1/20 0.37
CA4 P22748 1/20 0.36
CA9 Q16790 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
SCHEMBL2891168 0.74 GRM1 (0.72) GRM1GRM5PTGS2PTGS1FLT3
SCHEMBL2892824 0.73 GRM1 (1.00) GRM1GRM5
SCHEMBL10475874 0.68 GRM1 (0.35) GRM1
SCHEMBL29150106 0.67
SCHEMBL29149797 0.67 ALDH1A1 (0.36)
SCHEMBL2889357 0.65 GRM1 (0.72) GRM1GRM5PTGS2PTGS1
SCHEMBL2890478 0.65 GRM1 (0.71) GRM1GRM5PTGS2PTGS1
SCHEMBL4150760 0.65 RBP4 (0.38)
SCHEMBL19127484 0.65 MIF (0.55) FLT3CA1CA2CA5ACA9
SCHEMBL181873 0.64 MAPK14 (0.62) PTGS2PTGS1FLT3CA1CA2

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-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP disclosed