SCHEMBL3840352

SCHEMBL3840352

FC(F)(F)c1ccc(-c2ccc(OC3CN4CCC3CC4)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.61
NTMT1 Q9BV86 1/20 0.42
IL1B P01584 1/20 0.39
NLRP3 Q96P20 1/20 0.39
LMNA P02545 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
SCD O00767 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36

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
SCHEMBL3840349 1.00 CHRNA7 (0.61) CHRNA7NTMT1IL1BNLRP3LMNA
SCHEMBL3840489 0.86 CHRNA7 (0.65) CHRNA7NTMT1CHRM2CHRM1CHRM3
SCHEMBL1686042 0.86 CHRNA7 (0.65) CHRNA7NTMT1CHRM2CHRM1CHRM3
SCHEMBL1146350 0.86 CHRNA7 (0.47) CHRNA7NTMT1IL1BNLRP3LMNA
SCHEMBL3843478 0.86 CHRNA7 (0.60) CHRNA7IL1BNLRP3LMNACHRM2
SCHEMBL1146351 0.86 CHRNA7 (0.47) CHRNA7NTMT1IL1BNLRP3LMNA
SCHEMBL3843473 0.86 CHRNA7 (0.60) CHRNA7IL1BNLRP3LMNACHRM2
SCHEMBL1542809 0.84 CHRNA7 (0.65) CHRNA7NTMT1CHRM2CHRM1CHRM3
SCHEMBL5421431 0.84 CHRNA7 (0.65) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3840206 0.84 CHRNA7 (0.65) CHRNA7NTMT1CHRM2CHRM1CHRM3

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