SCHEMBL8553067

SCHEMBL8553067

COC(=O)CCOC1CCN(C(=O)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.38
GPR119 Q8TDV5 6/20 0.36
THRB P10828 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
STS P08842 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
Hydrochloric Acid SCHEMBL8594500 0.84 PLAT (0.34) ALDH1A1
SCHEMBL4416565 0.82 EPHX1 (0.47) GPR119MAPTKDM4EPDE4APDE4B
SCHEMBL8550488 0.79 KDM4E (0.44) GLSGPR119THRBMAPTKDM4E
SCHEMBL8551331 0.78 POLB (0.43) GLSGPR119THRBMAPTKDM4E
SCHEMBL8549545 0.77 L3MBTL1 (0.43) GLSTHRBMAPTKDM4EALDH1A1
SCHEMBL8625113 0.76 KDM4E (0.40) GPR119THRBTP53MAPTKDM4E
SCHEMBL8553647 0.76 LMNA (0.43) THRBTP53MAPT
SCHEMBL8553020 0.76 THRB (0.46) GLSGPR119THRBMAPTKDM4E
SCHEMBL8624368 0.76 GPR119 (0.39) GLSGPR119
SCHEMBL8549340 0.74 GPR119 (0.40) GPR119PDE4APDE4BPDE4CPDE4D

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
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed