SCHEMBL5213314

SCHEMBL5213314

CC(C)(C)OC(=O)[N]C1CNC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.31
CHRNB4 P30926 8/20 0.31
CHRNA3 P32297 8/20 0.31
CHRNA7 P36544 8/20 0.31
CHRNA4 P43681 8/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL884049 0.81 GABRP (0.33) CHRM2CHRM1CHRM3
SCHEMBL409182 0.70 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24200756 0.68
SCHEMBL27893276 0.68 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2281859 0.68 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25225240 0.68 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Iodide SCHEMBL1484659 0.67 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Acetic Acid SCHEMBL405308 0.65 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4754523 0.65 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL628376 0.65 ELANE (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed