SCHEMBL9050182

SCHEMBL9050182

O=C(Nc1ccccc1-c1ccccc1)OC1C[N+]2([O-])CCC1CC2

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.68
CHRM2 P08172 4/20 0.68
CHRM1 P11229 4/20 0.68

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
Iodide SCHEMBL9048201 0.85 CHRM3 (0.83) CHRM3CHRM2CHRM1
Bromide SCHEMBL9050889 0.81 CHRM3 (0.60) CHRM3CHRM2CHRM1
SCHEMBL9049295 0.77 CHRM3 (1.00) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL9050386 0.76 CHRM3 (0.98) CHRM3CHRM2CHRM1
SCHEMBL6016855 0.74 CHRM3 (0.53) CHRM3CHRM2CHRM1
SCHEMBL5722164 0.74 CHRM3 (0.59) CHRM3CHRM2CHRM1
Bromide SCHEMBL1190936 0.73 CHRM3 (0.58) CHRM3CHRM2CHRM1
Bromide SCHEMBL1190949 0.73 CHRM3 (0.53) CHRM3CHRM2CHRM1
Bromide SCHEMBL1190950 0.73 CHRM3 (0.53) CHRM3CHRM2CHRM1
Bromide SCHEMBL1190934 0.73 CHRM3 (0.58) CHRM3CHRM2CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747355-A1 NOVEL CARBAMATE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-11 EP disclosed