SCHEMBL9724689

SCHEMBL9724689

CCN1CCC=C(c2nc(C)no2)C1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.58
CHRM4 P08173 12/20 0.58
CHRM5 P08912 12/20 0.58
CHRM1 P11229 12/20 0.58
CHRM3 P20309 12/20 0.58

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
Hydrochloric Acid SCHEMBL9724640 0.99 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10419476 0.82 CHRM2 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10419473 0.82 CHRM2 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL661974 0.80 CHRM2 (0.84) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8872571 0.79 CHRM2 (0.82) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10420335 0.78 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10420337 0.78 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9704913 0.74 CHRM2 (0.78) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9704924 0.74 CHRM2 (0.78) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL10418867 0.73 CHRM2 (1.00) 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-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