SCHEMBL3840329

SCHEMBL3840329

Clc1cccc(Cl)c1-c1cnc(O[C@H]2CN3CCC2CC3)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
LSS P48449 1/20 0.41
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 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
SCHEMBL3840335 1.00 CHRNA7 (0.44) CHRNA7GAAATMLSSTSHR
SCHEMBL16642067 0.90 CHRNA7 (0.42) CHRNA7GAAATMTSHRRXFP1
SCHEMBL3840344 0.86 CNR2 (0.46) CHRNA7GAAATMTSHRRXFP1
SCHEMBL3840340 0.86 CNR2 (0.46) CHRNA7GAAATMTSHRRXFP1
SCHEMBL3840297 0.86 GAA (0.44) CHRNA7GAAATMLSSCHRM2
SCHEMBL3840299 0.86 GAA (0.44) CHRNA7GAAATMLSSCHRM2
SCHEMBL3844040 0.83 LSS (0.51) CHRNA7GAALSSTSHRRXFP1
SCHEMBL3839960 0.83 CHRNA7 (0.43) CHRNA7LSSTSHRRXFP1CHRM2
SCHEMBL3839954 0.82 CHRM2 (0.47) CHRNA7GAAATMLSSTSHR
SCHEMBL3840502 0.82 TSHR (0.49) CHRNA7LSSTSHRRXFP1CHRM2

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
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US disclosed
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US disclosed