SCHEMBL7475438

SCHEMBL7475438

CCOc1cncc(OC[C@@H]2CCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNA3 P32297 3/20 0.45
CHRNB4 P30926 2/20 0.45
RET P07949 1/20 0.41
CHRNA2 Q15822 1/20 0.41
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
GPR119 Q8TDV5 2/20 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
SCHEMBL7465912 0.90 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7475109 0.89 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL14941847 0.88 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL2185913 0.88 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL6586600 0.88 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7475269 0.88 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL13335166 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7474322 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL2300523 0.88 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7484438 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2

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