SCHEMBL9242572

SCHEMBL9242572

O=C1CN(Cc2cccc(OCC3CN(c4ccccn4)C(=O)O3)c2)C(=O)S1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.51
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6801533 0.87 GRM2 (0.56) GRM2
SCHEMBL8941939 0.84 GRM2 (0.57) GRM2
SCHEMBL8942117 0.83 GRM2 (0.56) GRM2
SCHEMBL9236212 0.82 GRM2 (0.60) GRM2
SCHEMBL8941844 0.82 GRM2 (0.57) GRM2
SCHEMBL2789355 0.81 GRM2 (0.60) GRM2
SCHEMBL2786197 0.80 GRM2 (0.55) GRM2
SCHEMBL8941850 0.80 GRM2 (0.55) GRM2
SCHEMBL8942024 0.80 GRM2 (0.53) GRM2
SCHEMBL2786765 0.80 GRM2 (0.49) GRM2MAPK1L3MBTL1

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-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed