SCHEMBL6938182

SCHEMBL6938182

Cn1cc(CC[C@H](CO[Si](C)(C)C(C)(C)C)n2cnc(C(N)=O)c2)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADA P00813 18/20 0.69
ABCG2 Q9UNQ0 1/20 0.38
HTR6 P50406 1/20 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
SCHEMBL6935334 0.93 ADA (0.81) ADA
SCHEMBL6940660 0.88 ADA (0.58) ADA
SCHEMBL6938856 0.87 ADA (0.80) ADA
SCHEMBL6935332 0.87 ADA (0.57) ADA
SCHEMBL6942581 0.86 ADA (0.81) ADA
SCHEMBL6938186 0.85 ADA (0.62) ADAABCG2HTR6
SCHEMBL7847420 0.85 ADA (0.49) ADA
SCHEMBL6936411 0.83 ADA (0.66) ADA
SCHEMBL6935381 0.82 ADA (0.46) ADAABCG2HTR6
SCHEMBL6935374 0.82 ADA (0.46) ADAABCG2HTR6

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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed