SCHEMBL3844550

SCHEMBL3844550

Fc1ccc(-c2ccc(OC3CN4CCC3CC4)nn2)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
GLA P06280 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
LSS P48449 1/20 0.36
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL3840240 0.85 CHRNA7 (0.54) CHRNA7CHRM2CHRM1
SCHEMBL3840243 0.85 CHRNA7 (0.54) CHRNA7CHRM2CHRM1
SCHEMBL3840537 0.84 CHRNA7 (0.54) CHRNA7CHRM2CHRM1
SCHEMBL3840541 0.84 CHRNA7 (0.54) CHRNA7CHRM2CHRM1
SCHEMBL3181800 0.83 CHRNA7 (0.65) CHRNA7CHRM2CHRM1LSS
SCHEMBL3839223 0.83 CHRNA7 (0.53) CHRNA7CHRM2CHRM1
SCHEMBL1459280 0.83 CHRNA7 (0.53) CHRNA7CHRM2CHRM1
SCHEMBL1459282 0.83 CHRNA7 (0.53) CHRNA7CHRM2CHRM1
SCHEMBL3839228 0.83 CHRNA7 (0.53) CHRNA7CHRM2CHRM1
SCHEMBL1460490 0.81 CHRNA7 (0.53) CHRNA7CHRM2CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed