SCHEMBL7413845

SCHEMBL7413845

CC(C)(C)OC(=O)C(Oc1ccc(Cl)nc1)N1CCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA7 P36544 1/20 0.38
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7476501 0.87 CHRNB2 (0.38) KMT2ALMNACHRNB2CHRNA4CHRNA3
SCHEMBL7413215 0.84 GPR119 (0.41)
SCHEMBL7416015 0.81 KMT2A (0.34) KMT2ALMNARAB9AHRH3MEN1
SCHEMBL7411562 0.81 KMT2A (0.35) KMT2ALMNAHRH3GAA
SCHEMBL7411225 0.81 KMT2A (0.35) KMT2ALMNAHRH3GAA
SCHEMBL7412567 0.81 HRH3 (0.36) KMT2ALMNAHRH3MEN1
SCHEMBL7478780 0.80 HRH3 (0.32) KMT2ALMNAHRH3MEN1
SCHEMBL8506871 0.78 ALDH1A1 (0.37) KMT2ALMNAGAA
SCHEMBL8506868 0.78 ALDH1A1 (0.37) KMT2ALMNAGAA
SCHEMBL7478135 0.78 SCN9A (0.33) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
EP-0950057-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS Abbott Laboratories (US) 1999-10-20 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
WO-1998025920-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LABORATORIES (US) 1998-06-18 WO disclosed