SCHEMBL3841996

SCHEMBL3841996

c1ccc2cc(-c3ccc(OC4CN5CCC4CC5)nn3)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.72
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
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
SCHEMBL3840566 1.00 CHRNA7 (0.72) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL3182857 0.90 CHRNA7 (0.61) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL4198526 0.85 CHRNA7 (0.64) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Abt-107 SCHEMBL31393053 0.84 CHRNA7 (1.00) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Abt-107 SCHEMBL1542259 0.84 CHRNA7 (1.00) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3187225 0.84 CHRNA7 (0.88) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Abt-107 SCHEMBL373047 0.84 CHRNA7 (1.00) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Abt-107 SCHEMBL527745 0.84 CHRNA7 (1.00) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3841313 0.83 CHRNA7 (0.69) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3841319 0.83 CHRNA7 (0.69) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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