SCHEMBL6935838

SCHEMBL6935838

C[C@H](OCc1ccccc1)[C@@H](CCn1ncc2ccccc21)n1cnc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADA P00813 14/20 0.46
KMO O15229 1/20 0.40
RECQL P46063 1/20 0.36

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
SCHEMBL6941436 0.85 ADA (0.60) ADAKMO
SCHEMBL6939147 0.85 ADA (0.52) ADA
SCHEMBL5671892 0.82 ADA (0.55) ADA
SCHEMBL6169449 0.82 ADA (0.60) ADA
SCHEMBL6169462 0.80 ADA (0.55) ADA
SCHEMBL6936452 0.79 ADA (0.42) ADA
SCHEMBL6171224 0.79 ADA (0.57) ADA
SCHEMBL6169932 0.79 ADA (0.73) ADA
SCHEMBL6133927 0.79 ADA (0.75) ADA
SCHEMBL6173047 0.79 ADA (0.73) 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