SCHEMBL9724751

SCHEMBL9724751

C=Cc1noc(C2=CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.41
CHRM4 P08173 9/20 0.41
CHRM5 P08912 9/20 0.41
CHRM1 P11229 9/20 0.41
CHRM3 P20309 9/20 0.41
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL9724813 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9724704 0.83 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9724785 0.80 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4136756 0.78 HDAC4 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10517530 0.78 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10518298 0.77 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10517068 0.77 RORC (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9724686 0.76 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9724809 0.76 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9724659 0.76 CHRM2 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134146-A SUBSTITUTED OXADIAZOLES AND THIADIAZOLES FOR USE IN THE TREATMENT OF GLAUCOMA MERCK SHARP AND DOHME LTD. (GB) 1992-07-28 US disclosed
EP-0459568-A2 Substituted oxadiazoles and thiadiazoles for use in the treatment of glaucoma and novel compounds having such use MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed