SCHEMBL3844040

SCHEMBL3844040

Clc1ccc(-c2cnc(OC3CN4CCC3CC4)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.51
CHRNA7 P36544 1/20 0.48
GLA P06280 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
NTMT1 Q9BV86 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL3844303 0.87 CHRNA7 (0.48) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL999496 0.87 CHRNA7 (0.48) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL999498 0.87 CHRNA7 (0.48) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL5402635 0.86 CHRNA7 (0.48) CHRNA7NPC1RAB9AMEN1KMT2A
SCHEMBL5417567 0.86 CHRNA7 (0.48) CHRNA7NPC1RAB9AMEN1KMT2A
SCHEMBL3839960 0.86 CHRNA7 (0.43) LSSCHRNA7GLATSHRRXFP1
SCHEMBL999385 0.86 CHRNA7 (0.64) CHRNA7CHRM2CHRM1NTMT1CHRM4
SCHEMBL999386 0.86 CHRNA7 (0.64) CHRNA7CHRM2CHRM1NTMT1CHRM4
SCHEMBL3839954 0.86 CHRM2 (0.47) LSSCHRNA7GAATSHRRXFP1
SCHEMBL3840502 0.86 TSHR (0.49) LSSCHRNA7GLANPC1RAB9A

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
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US disclosed
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US disclosed