SCHEMBL6940404

SCHEMBL6940404

NC(=O)c1cn(C[C@@H](O)CCCn2ccc3ccc(O)cc32)cn1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 0.47
ACLY P53396 1/20 0.37

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
SCHEMBL6937612 0.89 ADA (0.49) ADAACLY
SCHEMBL6938261 0.87 LMNA (0.45) ADA
SCHEMBL6939011 0.85 ADA (0.66) ADA
SCHEMBL6941810 0.81 ADA (0.69) ADA
SCHEMBL6936378 0.79 ADA (0.67) ADA
SCHEMBL6940398 0.77 ADA (0.56) ADA
SCHEMBL6940662 0.76 ADA (0.71) ADA
SCHEMBL6938447 0.75 ADA (0.49) ADA
SCHEMBL6942307 0.75 ADA (0.53) ADA
SCHEMBL6942253 0.75 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