SCHEMBL3840281

SCHEMBL3840281

c1ccc2c(-c3cnc(O[C@H]4CN5CCC4CC5)nc3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
NTMT1 Q9BV86 1/20 0.44
CHRNA7 P36544 1/20 0.43
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 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
SCHEMBL3840839 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3840297 0.84 GAA (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL16656484 0.84 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3839369 0.84 CHRNA7 (0.49) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3839374 0.84 CHRNA7 (0.49) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL1542591 0.82 CHRNA7 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3840340 0.81 CNR2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3840344 0.81 CNR2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3842988 0.81 CHRNA7 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL3844303 0.81 CHRNA7 (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5

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