SCHEMBL6939010

SCHEMBL6939010

CCCCOc1ccc2ccn(CC[C@H]([C@H](C)O)n3cnc(C(N)=O)c3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADA P00813 15/20 0.77

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
SCHEMBL6941802 0.89 ADA (0.78) ADA
SCHEMBL6937594 0.88 ADA (0.76) ADA
SCHEMBL6937589 0.87 ADA (1.00) ADA
SCHEMBL6940398 0.85 ADA (0.56) ADA
SCHEMBL6941537 0.85 ADA (0.77) ADA
SCHEMBL6940470 0.84 ADA (1.00) ADA
SCHEMBL6937608 0.84 ADA (0.55) ADA
SCHEMBL6938258 0.82 ADA (0.61) ADA
SCHEMBL6938448 0.81 ADA (0.79) ADA
SCHEMBL6939011 0.81 ADA (0.66) 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