SCHEMBL6939869

SCHEMBL6939869

CCCCCCOc1ccc2c(c1)c(CC[C@H](CO)n1cnc(C(N)=O)c1)cn2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 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
SCHEMBL6936287 0.97 ADA (0.95) ADA
SCHEMBL6938856 0.89 ADA (0.80) ADA
SCHEMBL6940649 0.89 ADA (1.00) ADA
SCHEMBL6939875 0.87 ADA (0.78) ADA
SCHEMBL6941844 0.87 ADA (1.00) ADA
SCHEMBL6936293 0.84 ADA (0.73) ADA
SCHEMBL6938860 0.84 ADA (0.72) ADA
SCHEMBL6933250 0.83 ADA (0.71) ADA
SCHEMBL6935289 0.81 ADA (1.00) ADA
SCHEMBL7847452 0.80 ADA (0.67) 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