SCHEMBL7481577

SCHEMBL7481577

CC(C)(C)OC(=O)N1CC[C@H]1COc1ccc(C(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.44
FEN1 P39748 1/20 0.44
GPR119 Q8TDV5 8/20 0.41
MGLL Q99685 2/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL7479360 0.86 CHRNB2 (0.46) ALOX5APFEN1GPR119CHRNA3
SCHEMBL7407720 0.84 CHRNB2 (0.53) ALOX5APFEN1GPR119CHRNA3
SCHEMBL18291358 0.84 ALOX5AP (0.50) ALOX5APFEN1GPR119CHRNA3
SCHEMBL7472930 0.84 CHRNB2 (0.54) ALOX5APFEN1GPR119CHRNA3
SCHEMBL6588716 0.84 CHRNA3 (0.59) ALOX5APFEN1GPR119CHRNA3
SCHEMBL7472876 0.84 CHRNA3 (0.59) ALOX5APFEN1GPR119CHRNA3
SCHEMBL7455050 0.83 GPR119 (0.42) ALOX5APFEN1GPR119CHRNA3
SCHEMBL7408557 0.83 GPR119 (0.48) ALOX5APFEN1GPR119CHRNA3
SCHEMBL6585750 0.81 GPR119 (0.41) ALOX5APFEN1GPR119CHRNA3
SCHEMBL7418829 0.80 ALOX5AP (0.53) ALOX5APFEN1GPR119CHRNA3

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 3 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
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed