SCHEMBL3840552

SCHEMBL3840552

Fc1cccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.63
CHRNB2 P17787 9/20 0.53
CHRNB4 P30926 9/20 0.53
CHRNA3 P32297 9/20 0.53
CHRNA4 P43681 9/20 0.53
NTMT1 Q9BV86 1/20 0.42
CHRM2 P08172 4/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
IL4I1 Q96RQ9 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL3840554 1.00 CHRNA7 (0.63) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146191 0.87 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146194 0.87 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3841488 0.86 CHRNA7 (0.63) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3844162 0.86 CHRNA7 (0.63) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3844158 0.86 CHRNA7 (0.63) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3841492 0.86 CHRNA7 (0.63) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1686042 0.85 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3840489 0.85 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3843473 0.85 CHRNA7 (0.60) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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
US-8236803-B2 Aza-bicycloalkyl ethers and their use as alpha7-nAChR agonists NOVARTIS AG (CH) 2012-08-07 US claimed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP disclosed