SCHEMBL3840517

SCHEMBL3840517

Clc1ccccc1-c1ccc(O[C@H]2CN3CCC2CC3)nn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.54
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CNR2 P34972 1/20 0.41
LSS P48449 1/20 0.39
GLA P06280 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
SCHEMBL3840519 1.00 CHRNA7 (0.54) CHRNA7GAAATMCHRM2CHRM4
SCHEMBL3844217 0.87 CHRNA7 (0.55) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3846223 0.87 CHRNA7 (0.55) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840541 0.85 CHRNA7 (0.54) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840537 0.85 CHRNA7 (0.54) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840500 0.84 CHRNA7 (0.53) CHRNA7GAACHRM2CHRM4CHRM5
SCHEMBL3181800 0.84 CHRNA7 (0.65) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840778 0.84 CHRNA7 (0.53) CHRNA7GAAATMLSSGLA
SCHEMBL3840773 0.84 CHRNA7 (0.53) CHRNA7GAAATMLSSGLA
SCHEMBL4198526 0.82 CHRNA7 (0.64) 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 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