SCHEMBL6936392

SCHEMBL6936392

NC(=O)c1cn([C@H](O)CCCn2ccc3cc(OCCCc4ccccc4)ccc32)cn1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 0.78
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42

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
SCHEMBL6935887 0.93 ADA (0.78) ADA
SCHEMBL6938150 0.91 ADA (0.78) ADA
SCHEMBL6936385 0.88 ADA (1.00) ADA
SCHEMBL6935293 0.86 ADA (0.77) ADAITGB3ITGAV
SCHEMBL6938571 0.85 ADA (0.71) ADA
SCHEMBL6938470 0.85 ADA (0.79) ADA
SCHEMBL6936470 0.85 ADA (0.65) ADA
SCHEMBL6938445 0.82 ADA (0.51) ADA
SCHEMBL6937594 0.82 ADA (0.76) ADA
SCHEMBL6938565 0.82 ADA (0.80) 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