SCHEMBL3840611

SCHEMBL3840611

FC(F)(F)Oc1cccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 14/20 0.58
CHRNB2 P17787 13/20 0.41
CHRNA4 P43681 13/20 0.41
HTR3A P46098 1/20 0.41
PIM1 P11309 2/20 0.41
CHRNB4 P30926 12/20 0.41
CHRNA3 P32297 12/20 0.41
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL3840616 1.00 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4HTR3APIM1
SCHEMBL1146460 0.88 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4HTR3APIM1
SCHEMBL1146461 0.88 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4HTR3APIM1
SCHEMBL3840224 0.86 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL3840226 0.86 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL3843473 0.85 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3843478 0.85 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3840552 0.84 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3840554 0.84 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3844162 0.81 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4

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