SCHEMBL7473343

SCHEMBL7473343

CCc1cc(OC[C@@H]2CCN2C(=O)OC(C)(C)C)cnc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
FEN1 P39748 1/20 0.39
GPR119 Q8TDV5 5/20 0.39
PIK3CD O00329 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
F2RL3 Q96RI0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7478777 0.88 ALOX5AP (0.39) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7478107 0.87 ALOX5AP (0.39) ALOX5APFEN1GPR119CHRNB2CHRNB4
SCHEMBL7474875 0.87 ALOX5AP (0.39) ALOX5APFEN1GPR119CHRNB2CHRNB4
SCHEMBL6583129 0.84 GPR119 (0.38) ALOX5APFEN1GPR119PIK3CDCHRNB2
SCHEMBL7134497 0.83 CHRNA3 (0.39) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7475109 0.82 CHRNB2 (0.54) ALOX5APFEN1CHRNB2CHRNB4CHRNA3
SCHEMBL7475438 0.82 CHRNB2 (0.45) ALOX5APFEN1GPR119CHRNB2CHRNB4
SCHEMBL6584732 0.82 ALOX5AP (0.39) ALOX5APFEN1GPR119CHRNB4CHRNA3
SCHEMBL7831947 0.82 ALOX5AP (0.45) ALOX5APFEN1GPR119CHRNB2CHRNB4
SCHEMBL13308127 0.82 GPR119 (0.36) ALOX5APFEN1GPR119CHRNB2CHRNA4

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
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
EP-0950057-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS Abbott Laboratories (US) 1999-10-20 EP disclosed
WO-1998025920-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LABORATORIES (US) 1998-06-18 WO disclosed