SCHEMBL9724665

SCHEMBL9724665

C#CCN(CC#C)c1noc(C2=CCCNC2)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.52
CHRM3 P20309 2/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52

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
Oxalic Acid SCHEMBL9724631 0.93 CHRM2 (0.46) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9724692 0.78 CHRM2 (0.56) CHRM2CHRM3CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL9724736 0.77 CHRM2 (0.54) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9724667 0.71 CHRM2 (0.46) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9724619 0.70 CHRM2 (0.59) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9703191 0.70 CHRM1 (0.52) CHRM2CHRM3CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL9724750 0.69 CHRM1 (0.51) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9702355 0.68 CHRM2 (1.00) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL24434496 0.67 CHRM2 (0.56) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9724711 0.67 CHRM2 (0.52) CHRM2CHRM3CHRM4CHRM5CHRM1

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-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 claimed
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