SCHEMBL3840489

SCHEMBL3840489

Fc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.65
CHRNB2 P17787 4/20 0.49
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
CHRNA4 P43681 4/20 0.49
NTMT1 Q9BV86 2/20 0.39
UGCG Q16739 1/20 0.39
CHRM2 P08172 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 3/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1686042 1.00 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3840208 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1459274 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1542514 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1459276 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3840206 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1542809 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5421431 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5421430 0.87 CHRNA7 (0.65) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4198526 0.87 CHRNA7 (0.64) 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