SCHEMBL3840340

SCHEMBL3840340

Clc1cccc(-c2cnc(O[C@H]3CN4CCC3CC4)nc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.46
CNR1 P21554 1/20 0.43
CHRNA7 P36544 1/20 0.42
PTPN11 Q06124 1/20 0.41
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL3840344 1.00 CNR2 (0.46) CNR2CNR1CHRNA7PTPN11TSHR
SCHEMBL16642068 0.92 CNR2 (0.40) CNR2CNR1CHRNA7PTPN11TSHR
SCHEMBL3840299 0.90 GAA (0.44) CHRNA7GAAATMCHRM2CHRM4
SCHEMBL3840297 0.90 GAA (0.44) CHRNA7GAAATMCHRM2CHRM4
SCHEMBL3840335 0.86 CHRNA7 (0.44) CHRNA7TSHRRXFP1GAAATM
SCHEMBL3840329 0.86 CHRNA7 (0.44) CHRNA7TSHRRXFP1GAAATM
SCHEMBL16642070 0.83 TSHR (0.45) CHRNA7TSHRRXFP1GAAATM
SCHEMBL3842055 0.82 TSHR (0.45) CHRNA7TSHRRXFP1CHRM2CHRM1
SCHEMBL3842111 0.82 TSHR (0.45) CNR2CHRNA7TSHRRXFP1CHRM2
SCHEMBL3842109 0.82 TSHR (0.45) CNR2CHRNA7TSHRRXFP1CHRM2

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