SCHEMBL14401062

SCHEMBL14401062

CN1CCC[C@@H]1COP(C)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNA7 P36544 3/20 0.47
CHRNA5 P30532 2/20 0.47
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43

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
SCHEMBL13531684 0.87 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL13531685 0.87 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL25019687 0.87 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL13531681 0.82 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL14049036 0.82 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL13531680 0.82 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL20805076 0.77 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL15780666 0.75 CYP1A2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL26999999 0.75 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4
SCHEMBL2459458 0.74 CHRNB4 (0.50) CHRNB4CHRNA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847539-A1 Quinazoline derivatives AstraZeneca AB (SE) 2007-10-24 EP disclosed