SCHEMBL8549340

SCHEMBL8549340

COC(=O)CCOC1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.40
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
FAAH O00519 1/20 0.37
KDM5A P29375 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ABL1 P00519 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
Hydrochloric Acid SCHEMBL8552534 0.86 KDM5A (0.37) KDM5A
SCHEMBL4416565 0.82 EPHX1 (0.47) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL8550973 0.80 GPR119 (0.51) GPR119CTSDCTSEBACE1HCAR1
SCHEMBL8554518 0.78 L3MBTL1 (0.47) FAAHALDH1A1L3MBTL1
SCHEMBL8625113 0.78 KDM4E (0.40) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL8623093 0.78 GPR119 (0.49) GPR119CTSDCTSEBACE1HCAR1
SCHEMBL8553067 0.74 GLS (0.38) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL8594911 0.74 NR3C1 (0.47) CTSDCTSEBACE1ALDH1A1
SCHEMBL25212200 0.74 GPR119 (0.46) GPR119ALDH1A1JAK2JAK1TYK2
SCHEMBL25616980 0.74 GPR119 (0.46) GPR119ALDH1A1JAK2JAK1TYK2

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