SCHEMBL6935452

SCHEMBL6935452

Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADA P00813 20/20 1.00

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
SCHEMBL6938239 0.90 ADA (0.82) ADA
SCHEMBL6940656 0.89 ADA (0.81) ADA
SCHEMBL6942023 0.89 ADA (0.80) ADA
SCHEMBL6935456 0.89 ADA (0.80) ADA
SCHEMBL21067865 0.87 ADA (1.00) ADA
SCHEMBL6936397 0.87 ADA (1.00) ADA
SCHEMBL6938246 0.85 ADA (0.73) ADA
SCHEMBL6940574 0.85 ADA (0.73) ADA
SCHEMBL6939245 0.84 ADA (0.95) ADA
SCHEMBL6936476 0.84 ADA (1.00) 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