SCHEMBL3840299

SCHEMBL3840299

Clc1ccccc1-c1cnc(OC2CN3CCC2CC3)nc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
CHRM2 P08172 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRNA7 P36544 1/20 0.44
LSS P48449 1/20 0.41
GLA P06280 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
SCHEMBL3840297 1.00 GAA (0.44) GAAATMCHRM2CHRM1CHRM3
SCHEMBL16642070 0.90 TSHR (0.45) GAAATMCHRM2CHRM1CHRM3
SCHEMBL3840344 0.90 CNR2 (0.46) GAAATMCHRM2CHRM1CHRM3
SCHEMBL3840340 0.90 CNR2 (0.46) GAAATMCHRM2CHRM1CHRM3
SCHEMBL3842109 0.86 TSHR (0.45) CHRM2CHRM1CHRM3CHRNA7LSS
SCHEMBL3842111 0.86 TSHR (0.45) CHRM2CHRM1CHRM3CHRNA7LSS
SCHEMBL3842055 0.86 TSHR (0.45) CHRM2CHRM1CHRM3CHRNA7LSS
SCHEMBL3840329 0.86 CHRNA7 (0.44) GAAATMCHRM2CHRM1CHRM3
SCHEMBL3840335 0.86 CHRNA7 (0.44) GAAATMCHRM2CHRM1CHRM3
SCHEMBL16656484 0.85 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRM4CHRM5

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