SCHEMBL9722962

SCHEMBL9722962

CN(C)c1noc(C2CN3CCC2C3)n1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.67
CHRM1 P11229 1/20 0.62
KCNH2 Q12809 1/20 0.41

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 SCHEMBL9724688 0.99 CHRM2 (0.65) CHRM2CHRM1KCNH2
SCHEMBL194766 0.80 CHRM2 (1.00) CHRM2CHRM1
Oxadiazole SCHEMBL9369455 0.77 CHRM2 (1.00) CHRM2CHRM1KCNH2
SCHEMBL9724615 0.77 CHRM2 (0.67) CHRM2CHRM1
SCHEMBL5921954 0.77 CHRM2 (0.67) CHRM2CHRM1
Hydrochloric Acid SCHEMBL9724715 0.75 CHRM2 (0.65) CHRM2CHRM1
Hydrochloric Acid SCHEMBL9653117 0.75 CHRM2 (0.64) CHRM2CHRM1
Hydrochloric Acid SCHEMBL9724734 0.75 CHRM2 (0.64) CHRM2CHRM1
SCHEMBL9375366 0.73 CHRM2 (0.35) CHRM2CHRM1
Hydrochloric Acid SCHEMBL10519400 0.73 CHRM2 (0.62) CHRM2CHRM1

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 5 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
JP-4235985-A None JP disclosed
JP-H04235985-A SUBSTITUTED OXADIAZOLES AND THIADIAZOLES FOR TREATMENT OF GLAUCOMA AND NEW COMPOUND HAVING APPLICATION THEREFOR MERCK SHARP & DOHME LTD 1992-08-25 JP disclosed
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