SCHEMBL6942584

SCHEMBL6942584

Cn1cc(CCC[C@@H](O[Si](C)(C)C(C)(C)C)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.73
ADRB2 P07550 1/20 0.41
GRK2 P25098 1/20 0.33

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
SCHEMBL6935340 0.93 ADA (0.72) ADA
SCHEMBL6938860 0.88 ADA (0.72) ADAGRK2
SCHEMBL6941851 0.87 ADA (0.79) ADAADRB2
SCHEMBL6942581 0.87 ADA (0.81) ADAADRB2
SCHEMBL6938186 0.86 ADA (0.62) ADA
SCHEMBL6941844 0.85 ADA (1.00) ADAADRB2
SCHEMBL6940669 0.84 ADA (0.52) ADA
SCHEMBL6936072 0.83 ADA (0.72) ADA
SCHEMBL6935339 0.82 ADA (0.51) ADA
SCHEMBL6940673 0.80 ADA (0.56) ADA

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