SCHEMBL3840500

SCHEMBL3840500

COc1ccccc1-c1ccc(OC2CN3CCC2CC3)nn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.53
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CNR2 P34972 1/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL3840517 0.84 CHRNA7 (0.54) CHRNA7CNR2GAACHRM2CHRM4
SCHEMBL3840541 0.84 CHRNA7 (0.54) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840537 0.84 CHRNA7 (0.54) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3840519 0.84 CHRNA7 (0.54) CHRNA7CNR2GAACHRM2CHRM4
SCHEMBL3844217 0.83 CHRNA7 (0.55) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3846223 0.83 CHRNA7 (0.55) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3181800 0.83 CHRNA7 (0.65) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL4198526 0.81 CHRNA7 (0.64) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3839963 0.80 CHRNA7 (0.62) CHRNA7RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3839959 0.80 CHRNA7 (0.62) CHRNA7RAB9ASMN1; SMN2NPC1MAPT

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