SCHEMBL28033205

SCHEMBL28033205

O=C1CCOc2ccc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
GRM5 P41594 2/20 0.49
PGR P06401 5/20 0.45
TDP2 O95551 2/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP11 Q9NR21 1/20 0.45
MAOA P21397 1/20 0.42
FABP4 P15090 1/20 0.41
MET P08581 3/20 0.39
ALOX5 P09917 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL8795432 0.84 GRM5 (0.50) MAOBGRM5PARP10PARP11MAOA
SCHEMBL69670 0.82 MAOB (0.50) MAOBGRM5MAOA
SCHEMBL30451384 0.82 MAOB (0.50) MAOBGRM5MAOA
SCHEMBL7970008 0.79 GRM5 (0.52) MAOBGRM5PGRMAOA
SCHEMBL14552635 0.77 MAOB (0.49) MAOBGRM5MAOAMET
SCHEMBL28140126 0.77 FABP4 (0.46) MAOBGRM5MAOAFABP4MET
SCHEMBL27478944 0.76 CYP11B1 (0.56) MAOBMAOAALOX5TAAR1
SCHEMBL28246368 0.73 MAOB (0.60) MAOBGRM5MAOAFABP4
SCHEMBL1181902 0.73 CTSL (0.46) MAOBGRM5MAOA
SCHEMBL4726346 0.73 MAOB (0.64) MAOBGRM5MAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105213380-A A kind of diabetes combination of oral medication ZHU ZHONGLIANG 2016-01-06 CN disclosed
CN-105193796-A Diabetes mellitus resistant oral medicine composition ZHU ZHONGLIANG 2015-12-30 CN disclosed
CN-104994848-A Antidiabetic bicyclic compounds MERCK SHARP & DOHME 2015-10-21 CN disclosed