SCHEMBL7410349

SCHEMBL7410349

Cc1cncc(OC(C(=O)OC(C)(C)C)N2CCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
PRMT5 O14744 9/20 0.32
WDR77 Q9BQA1 9/20 0.32
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
GCK P35557 3/20 0.31
CYP11B2 P19099 1/20 0.30

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
SCHEMBL6583035 0.87 CHRNB2 (0.39) CHRNB2CHRNA4ATM
SCHEMBL7407935 0.87 ABHD6 (0.35) HCAR2CYP11B2
SCHEMBL7407010 0.87 CHRNB2 (0.39) CHRNB2CHRNA4ATM
SCHEMBL7411612 0.85 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CYP11B2
SCHEMBL8507386 0.84 CHRNB2 (0.39) CHRNB2CHRNA4ATM
SCHEMBL8507388 0.84 CHRNB2 (0.39) CHRNB2CHRNA4ATM
SCHEMBL7416527 0.84 PTGS2 (0.33)
SCHEMBL7416015 0.80 KMT2A (0.34)
SCHEMBL7478112 0.80
SCHEMBL7670153 0.79 CHRNB1 (0.47) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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