SCHEMBL3840558

SCHEMBL3840558

Clc1ccccc1-c1ccc(O[C@H]2CN3CCC2CC3)cn1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.61
LSS P48449 1/20 0.46
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
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

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
SCHEMBL3840559 1.00 CHRNA7 (0.61) CHRNA7LSSGAAATMCHRM2
SCHEMBL3844247 0.87 CHRNA7 (0.60) CHRNA7LSSCHRM2CHRM4CHRM5
SCHEMBL3844243 0.87 CHRNA7 (0.60) CHRNA7LSSCHRM2CHRM4CHRM5
SCHEMBL3839996 0.86 CHRNA7 (0.67) CHRNA7LSSCHRM2CHRM4CHRM5
SCHEMBL3839999 0.86 CHRNA7 (0.67) CHRNA7LSSCHRM2CHRM4CHRM5
SCHEMBL3839404 0.84 CHRNA7 (0.69) CHRNA7LSSCHRM1
SCHEMBL3839400 0.84 CHRNA7 (0.69) CHRNA7LSSCHRM1
SCHEMBL3840601 0.84 CHRNA7 (0.69) CHRNA7LSSCHRM1
SCHEMBL3840606 0.84 CHRNA7 (0.69) CHRNA7LSSCHRM1
SCHEMBL1458612 0.83 CHRNA7 (0.77) CHRNA7LSSCHRM2CHRM4CHRM5

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