SCHEMBL4449337

SCHEMBL4449337

CCOC(=O)c1ccc(C)cc1C.O=[N+]([O-])c1c(Oc2ccc(-c3csnn3)cc2)ncnc1N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.48
MAPT P10636 6/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL390764 0.81 GPR119 (0.72) GPR119MAPTKMT2ARAB9AKDM4E
SCHEMBL5261880 0.80 GPR119 (0.57) GPR119MAPTKMT2ALMNARAB9A
SCHEMBL1673697 0.76 GPR119 (0.53) GPR119MAPTKMT2ALMNARAB9A
SCHEMBL1673792 0.76 GPR119 (0.55) GPR119
SCHEMBL12733498 0.70 GPR119 (0.86) GPR119MAPTKMT2ALMNARAB9A
SCHEMBL1673687 0.67 GPR119 (0.81) GPR119MAPTKMT2ARAB9ATP53
SCHEMBL27632009 0.67 GPR119 (0.57) GPR119MAPTKMT2ALMNAL3MBTL1
SCHEMBL6391402 0.67 GPR119 (0.73) GPR119MAPTKMT2ARAB9AKDM4E
SCHEMBL5265609 0.66 GPR119 (0.57) GPR119
SCHEMBL390329 0.66 GPR119 (0.82) GPR119MAPTKMT2ARAB9ATP53

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-1808168-B1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARM INC (US) 2009-06-03 EP disclosed