SCHEMBL16551995

SCHEMBL16551995

COC(=O)c1ccc(F)c(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
GRM2 Q14416 1/20 0.40
ATR Q13535 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAPKAPK2 P49137 3/20 0.37
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
IDO1 P14902 1/20 0.36
NAMPT P43490 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 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
SCHEMBL16551996 0.88 KDM4A (0.41) KDM4AGRM2L3MBTL1CACNA1HCACNA1B
SCHEMBL26093437 0.87 KDM4A (0.41) KDM4AGRM2ATRL3MBTL1MAPKAPK2
SCHEMBL16552190 0.82 KDM4A (0.39) KDM4AGRM2ATRL3MBTL1CACNA1H
SCHEMBL22552136 0.82 MAPKAPK2 (0.43) KDM4AGRM2L3MBTL1CACNA1HCACNA1B
SCHEMBL30175527 0.82 MAPKAPK2 (0.43) KDM4AGRM2L3MBTL1CACNA1HCACNA1B
SCHEMBL26094198 0.81 KDM4A (0.39) KDM4AGRM2ATRL3MBTL1MAPKAPK2
SCHEMBL31084548 0.81 KDM4A (0.39) KDM4AGRM2ATRL3MBTL1MAPKAPK2
SCHEMBL16552148 0.81 GRM2 (0.35) KDM4AGRM2L3MBTL1CACNA1HCACNA1B
SCHEMBL29907501 0.81 KDM4A (0.41) KDM4AGRM2L3MBTL1CACNA1HCACNA1B
SCHEMBL22551972 0.81 KDM4A (0.41) KDM4AGRM2L3MBTL1CACNA1HCACNA1B

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
EP-3042913-B1 CYCLIC PEPTIDE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU GUANYU BIO MEDICAL CO LTD (CN) 2019-03-20 EP disclosed
EP-3042913-A1 CYCLIC PEPTIDE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Hangzhou Guanyu Bio-Medical Co., Ltd (CN) 2016-07-13 EP disclosed
WO-2015027959-A1 CYCLIC PEPTIDE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海冠宇生物医药科技有限公司 (CN) 2015-03-05 WO disclosed