SCHEMBL12936626

SCHEMBL12936626

CC(=O)C(N)Cc1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.51
DPP4 P27487 2/20 0.50
ADAMTS4 O75173 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
FLT3 P36888 1/20 0.44
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.42
DAO P14920 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL45382 0.86 ALPI (0.54) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL29574121 0.86 ALPI (0.54) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL4393088 0.86 ALPI (0.54) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL2700469 0.86 ALPI (0.54) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL29440959 0.86 ALPI (0.54) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL14771647 0.86 MTNR1A (0.49) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL14173378 0.84 MTNR1A (0.50) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL15109307 0.84 MTNR1A (0.50) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
Acetic Acid SCHEMBL5533726 0.84 MTNR1A (0.52) MTNR1AMTNR1BLOXL2DPP4ADAMTS4
SCHEMBL16656704 0.79 MTNR1A (0.55) MTNR1AMTNR1BLOXL2ADAMTS4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343778-B2 Electrolyte for lithium secondary battery and lithium secondary battery including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-05-17 US disclosed
US-20120251895-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-04 US disclosed