SCHEMBL3840462

SCHEMBL3840462

COc1ccc(-c2ccc(OC3CN4CCC3CC4)nn2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.51
TLR7 Q9NYK1 4/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 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
SCHEMBL3840460 1.00 CHRNA7 (0.51) CHRNA7TLR7CHRNB2CHRNA4HTR3A
SCHEMBL1459282 0.87 CHRNA7 (0.53) CHRNA7TLR7
SCHEMBL1459280 0.87 CHRNA7 (0.53) CHRNA7TLR7
SCHEMBL1460488 0.84 CHRNA7 (0.53) CHRNA7TLR7
SCHEMBL1460490 0.84 CHRNA7 (0.53) CHRNA7TLR7
SCHEMBL1459309 0.83 CHRNA7 (0.53) CHRNA7TLR7
SCHEMBL1459313 0.83 CHRNA7 (0.53) CHRNA7TLR7
SCHEMBL3840541 0.82 CHRNA7 (0.54) CHRNA7
SCHEMBL3839963 0.82 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL3839959 0.82 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4HTR3A

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