SCHEMBL9724686

SCHEMBL9724686

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.38
CHRM4 P08173 11/20 0.38
CHRM5 P08912 11/20 0.38
CHRM1 P11229 11/20 0.38
CHRM3 P20309 11/20 0.38

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
SCHEMBL9724751 0.76 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
Trifluoroacetic Acid SCHEMBL9724684 0.70 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704120 0.67 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10419461 0.67 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702274 0.66 SMN1; SMN2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6217296 0.65 LMNA (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9724711 0.62 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17243109 0.61 P2RX7 (0.39)
SCHEMBL9342055 0.58 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9404456 0.57 CHRM2 (0.39) 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