SCHEMBL6232773

SCHEMBL6232773

CC(Oc1cncc(CC#CO)c1)[C@@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNA6 Q15825 1/20 0.32
CHRNA2 Q15822 1/20 0.31

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
SCHEMBL4727403 0.80 CHRNB2 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA2
SCHEMBL6233088 0.79 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA6
SCHEMBL4779704 0.79 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA6
SCHEMBL8508215 0.79 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA6
SCHEMBL8507735 0.78 CHRNB2 (0.34) CHRNB2CHRNA6
SCHEMBL6236214 0.77 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA6
SCHEMBL6234636 0.77 CHRNB2 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA6
SCHEMBL8550383 0.76 GPR119 (0.37) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7406929 0.76 CHRNB4 (0.36) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6233084 0.76 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4

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