SCHEMBL8530228

SCHEMBL8530228

CC1OC[C@H]2O[C@@H](O)C[C@H](N)[C@@H]2O1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31

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
SCHEMBL22334802 0.81 CHRM2 (0.33) CHRM2CHRM5CHRM1
SCHEMBL13561266 0.81 CHRM2 (0.33) CHRM2CHRM5CHRM1
SCHEMBL29957418 0.72 CHRM2 (0.36) CHRM2CHRM5CHRM1
SCHEMBL23261024 0.69 CHRM2 (0.34) CHRM2CHRM5CHRM1
SCHEMBL23261025 0.69 CHRM2 (0.34) CHRM2CHRM5CHRM1
SCHEMBL2757715 0.68 KMT2A (0.35) CHRM2CHRM5CHRM1
SCHEMBL23321573 0.68 KMT2A (0.35) CHRM2CHRM5CHRM1
SCHEMBL6706088 0.68 KMT2A (0.35) CHRM2CHRM5CHRM1
SCHEMBL14009825 0.68 CHRM2 (0.33) CHRM2CHRM5CHRM1
SCHEMBL6361339 0.68 KMT2A (0.35) CHRM2CHRM5CHRM1

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
EP-0873347-A2 NOVEL AMINE DERIVATIVES OF EPIPODOPHYLLOTOXIN 2\", 3\"-DIDEOXYGLYCOSIDES, PREPARATION METHOD THEREFOR AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1998-10-28 EP disclosed
WO-1997013776-A2 NOVEL AMINE DERIVATIVES OF EPIPODOPHYLLOTOXIN 2', 3'-DIDEOXYGLYCOSIDES, PREPARATION METHOD THEREFOR AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1997-04-17 WO disclosed