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Sugi Predict / Compounds / SCHEMBL6233687

SCHEMBL6233687

SCHEMBL6233687

CC(C)(C)OC(=O)C(Oc1cncc(C#CCCCCO)c1)[C@@H]1CCN1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 13/20 0.56
▸ CHRNA3 P32297 9/20 0.56
▸ CHRNA2 Q15822 7/20 0.56
▸ CHRNA4 P43681 4/20 0.56
▸ CHRNB4 P30926 4/20 0.56

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
SCHEMBL6235643 0.96 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL6273656 0.92 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL8149383 0.92 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL8506415 0.92 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL6238061 0.88 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL6231761 0.84 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL6233812 0.81 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL7412173 0.78 CHRNB4 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL6231725 0.78 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA2CHRNA4CHRNB4
SCHEMBL7415277 0.77 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB4

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
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 — — WO disclosed