SCHEMBL7474875

SCHEMBL7474875

Cc1ncc(OC[C@H]2CCN2C(=O)OC(C)(C)C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
FEN1 P39748 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
F2RL3 Q96RI0 2/20 0.38
UCHL1 P09936 2/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
USP30 Q70CQ3 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 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
SCHEMBL7478107 1.00 ALOX5AP (0.39) ALOX5APFEN1GPR119F2RL3UCHL1
SCHEMBL6585018 0.91 ALOX5AP (0.37) ALOX5APFEN1GPR119UCHL1
SCHEMBL7483760 0.88 ALOX5AP (0.42) ALOX5APFEN1GPR119F2RL3UCHL1
SCHEMBL6583119 0.88 ALOX5AP (0.39) ALOX5APFEN1GPR119
SCHEMBL6584285 0.88 ALOX5AP (0.39) ALOX5APFEN1GPR119
SCHEMBL6588458 0.88 ALOX5AP (0.39) ALOX5APFEN1GPR119
SCHEMBL7473343 0.87 ALOX5AP (0.39) ALOX5APFEN1GPR119F2RL3CHRNB2
SCHEMBL6583129 0.84 GPR119 (0.38) ALOX5APFEN1GPR119F2RL3CHRNB2
SCHEMBL2185913 0.83 CHRNB2 (0.55) ALOX5APFEN1GPR119UCHL1CHRNB2
SCHEMBL2300523 0.83 CHRNB2 (0.55) ALOX5APFEN1GPR119UCHL1CHRNB2

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
CN-1125064-C 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2003-10-22 CN disclosed
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
CN-1245496-A 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2000-02-23 CN disclosed