SCHEMBL3839401

SCHEMBL3839401

Cc1ccc(-c2ccc(O[C@@H]3CN4CC[C@@H]3C4)nn2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
CHRM1 P11229 5/20 0.41
CHRM2 P08172 2/20 0.41
TLR7 Q9NYK1 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3842064 1.00 CHRNA7 (0.47) CHRNA7CHRM1CHRM2TLR7CYP1A2
SCHEMBL1459282 0.94 CHRNA7 (0.53) CHRNA7CHRM1CHRM2TLR7CYP1A2
SCHEMBL1459280 0.94 CHRNA7 (0.53) CHRNA7CHRM1CHRM2TLR7CYP1A2
SCHEMBL1146153 0.89 CHRNA7 (0.40) CHRNA7CHRM1CHRM2
SCHEMBL1146018 0.89 CHRNA7 (0.40) CHRNA7CHRM1CHRM2
SCHEMBL1146287 0.89 CHRNA7 (0.40) CHRNA7CHRM1CHRM2
SCHEMBL3839223 0.86 CHRNA7 (0.53) CHRNA7CHRM1CHRM2TLR7CYP1A2
SCHEMBL3839228 0.86 CHRNA7 (0.53) CHRNA7CHRM1CHRM2TLR7CYP1A2
SCHEMBL1460490 0.82 CHRNA7 (0.53) CHRNA7CHRM1CHRM2TLR7
SCHEMBL1460488 0.82 CHRNA7 (0.53) CHRNA7CHRM1CHRM2TLR7

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