SCHEMBL3844247

SCHEMBL3844247

c1ccc2c(-c3ccc(OC4CN5CCC4CC5)cn3)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.60
NTMT1 Q9BV86 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL3844243 1.00 CHRNA7 (0.60) CHRNA7NTMT1CHRM2CHRM4CHRM5
SCHEMBL3840559 0.87 CHRNA7 (0.61) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840558 0.87 CHRNA7 (0.61) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3839999 0.85 CHRNA7 (0.67) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3839996 0.85 CHRNA7 (0.67) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3839405 0.83 CHRNA7 (0.65) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3839403 0.83 CHRNA7 (0.65) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL1458612 0.82 CHRNA7 (0.77) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL1458614 0.82 CHRNA7 (0.77) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3839364 0.81 CHRNA7 (0.69) CHRNA7CHRM2CHRM4CHRM5CHRM1

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