SCHEMBL3839364

SCHEMBL3839364

c1ccc2cc(-c3ccc(OC4CN5CCC4CC5)cn3)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.69
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
LSS P48449 1/20 0.40

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
SCHEMBL3839359 1.00 CHRNA7 (0.69) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL1458614 0.87 CHRNA7 (0.77) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL1458612 0.87 CHRNA7 (0.77) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL1459240 0.84 CHRNA7 (0.77) CHRNA7CHRM1LSS
SCHEMBL1459239 0.84 CHRNA7 (0.77) CHRNA7CHRM1LSS
SCHEMBL3840510 0.83 CHRNA7 (0.75) CHRNA7LSS
SCHEMBL3842977 0.83 CHRNA7 (0.75) CHRNA7LSS
SCHEMBL3840915 0.82 CHRNA7 (0.48) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840912 0.82 CHRNA7 (0.48) CHRNA7CHRM2CHRM4CHRM5CHRM1
Aqw051 SCHEMBL29604108 0.82 CHRNA7 (1.00) CHRNA7CHRM1LSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed
US-7579362-B2 Aza-bicycloalkyl ethers and their use as alpha7-nAChR agonists NOVARTIS AG (CH) 2009-08-25 US claimed