SCHEMBL9718640

SCHEMBL9718640

c1cc2oncc2nc1C1CN2CCC1CC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRNA7 P36544 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
SCHEMBL6345310 0.74 CHRNA7 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9148604 0.72 CHRNA7 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6344857 0.70 CHRNA7 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9430908 0.66 CHRNA7 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9430775 0.66 CHRNA7 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9431645 0.66 CHRNA7 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6343635 0.64 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9431139 0.63 CHRNA7 (0.42) CHRNA7
SCHEMBL23763992 0.63 CHRNA7 (0.41) CHRNA7
SCHEMBL6346098 0.63 MEN1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3

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-0323864-A2 Lipophilic oxadiazoles MERCK SHARP & DOHME LTD. (GB) 1989-07-12 EP claimed
US-5135935-A Anticholesterol agents MERCK & CO., INC. (US) 1992-08-04 US disclosed
EP-0323864-A2 Lipophilic oxadiazoles MERCK SHARP & DOHME LTD. (GB) 1989-07-12 EP disclosed