SCHEMBL6951968

SCHEMBL6951968

CC(C)(C)OC(=O)N1CCC(CN2CCC(c3ccncc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.52
CHRM4 P08173 1/20 0.50
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
BACE1 P56817 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
FAAH O00519 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL1854582 0.89 GPR119 (0.57) GPR119NAMPTKDM4ELMNAMAPT
SCHEMBL7971619 0.88 KDM4E (0.57) GPR119CHRM4NAMPTKDM4EPKM
SCHEMBL6950631 0.84 GPR119 (0.53) GPR119NAMPTKDM4ELMNAMAPT
SCHEMBL8126900 0.82 GPR119 (0.56) GPR119LMNAMAPT
SCHEMBL31566742 0.82 PDE4B (0.58) GPR119NAMPTKDM4ELMNAMAPT
SCHEMBL29880481 0.82 PDE4B (0.58) GPR119NAMPTKDM4ELMNAMAPT
SCHEMBL5573169 0.80 HPGD (0.53) GPR119KDM4EPKMFAAHMAPT
SCHEMBL21714300 0.80 GPR119 (0.51) GPR119NAMPTKDM4ELMNAMAPT
SCHEMBL24671233 0.79 CRBN (0.58) GPR119NAMPTKDM4EBACE1MAPT
SCHEMBL25184167 0.79 CRBN (0.58) GPR119NAMPTKDM4EBACE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966462-B1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ASTRAZENECA AB (SE) 2003-06-11 EP disclosed
US-6391880-B1 ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 2002-05-21 US disclosed
US-6335341-B1 ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 2002-01-01 US disclosed
EP-1000057-A1 PYRIDYL- AND PYRIMIDYL-HETEROCYCLIC COMPOUNDS INHIBITING OXIDO SQUALENE-CYCLASE AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999006395-A1 PYRIDYL- AND PYRIMIDYL-HETEROCYCLIC COMPOUNDS INHIBITING OXIDO SQUALENE-CYCLASE ZENECA LIMITED (GB) 1999-02-11 WO disclosed