SCHEMBL6938447

SCHEMBL6938447

NC(=O)c1cn(C[C@H](CCCn2ccc3ccc(N)cc32)OCc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADA P00813 20/20 0.49

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
SCHEMBL6939006 0.91 ADA (0.48) ADA
SCHEMBL6942253 0.91 ADA (0.56) ADA
SCHEMBL6939156 0.91 ADA (0.46) ADA
SCHEMBL6941824 0.88 ADA (0.46) ADA
SCHEMBL6940819 0.85 ADA (0.63) ADA
SCHEMBL6940578 0.80 ADA (0.65) ADA
SCHEMBL5671897 0.79 ADA (0.47) ADA
SCHEMBL6169457 0.79 ADA (0.49) ADA
SCHEMBL6938443 0.79 ADA (0.54) ADA
SCHEMBL6169467 0.78 ADA (0.48) 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