SCHEMBL9690886

SCHEMBL9690886

OC[C@H]1C[C@@H](n2cnc3c2N=CNC[C@H]3O)C(O)C1O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.45
ADORA2B P29275 1/20 0.45
ADA P00813 1/20 0.40
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL10448915 1.00 AHCY (0.45) AHCYADORA2BADAADORA3
SCHEMBL9688919 1.00 AHCY (0.45) AHCYADORA2BADAADORA3
SCHEMBL9690845 0.82 ADA (0.43) AHCYADORA2BADAADORA3
SCHEMBL12202969 0.81 TK1 (0.39) ADORA2BADAADORA3
Coformycin SCHEMBL8373037 0.76 ADA (0.68) ADAADORA3
Coformycin SCHEMBL7796895 0.76 ADA (0.68) ADAADORA3
Coformycin SCHEMBL13697497 0.76 ADA (0.68) ADAADORA3
Coformycin SCHEMBL13697294 0.76 ADA (0.68) ADAADORA3
SCHEMBL12229403 0.76 ADA (0.40) ADORA2BADAADORA3
Coformycin SCHEMBL442534 0.76 ADA (0.68) ADAADORA3

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
US-5089045-A Substituted 3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine-8-ol herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1992-02-18 US claimed