SCHEMBL3844027

SCHEMBL3844027

CCCc1ccc(-c2ccc(OC3CN4CCC3CC4)nn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.59
CHRM1 P11229 7/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRM2 P08172 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
SCHEMBL3844025 1.00 CHRNA7 (0.59) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3
SCHEMBL3840309 0.91 CHRNA7 (0.61) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3
SCHEMBL3840311 0.91 CHRNA7 (0.61) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3
SCHEMBL1459276 0.84 CHRNA7 (0.65) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3
SCHEMBL1459274 0.84 CHRNA7 (0.65) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3
SCHEMBL3839963 0.82 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4
SCHEMBL3839959 0.82 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4
SCHEMBL1542809 0.82 CHRNA7 (0.65) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3
SCHEMBL3840206 0.82 CHRNA7 (0.65) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3
SCHEMBL5421431 0.82 CHRNA7 (0.65) CHRNA7CHRM1CHRNB2CHRNB4CHRNA3

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