SCHEMBL6940574

SCHEMBL6940574

C[C@H](OCc1ccccc1)[C@@H](CCn1ccc2ccc(NC(=O)CCc3nc4ccccc4n3C)cc21)n1cnc(C(N)=O)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADA P00813 18/20 0.73
MCHR1 Q99705 1/20 0.38

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
SCHEMBL6940656 0.90 ADA (0.81) ADA
SCHEMBL6940814 0.89 ADA (0.70) ADAMCHR1
SCHEMBL6935452 0.85 ADA (1.00) ADA
SCHEMBL6940578 0.84 ADA (0.65) ADAMCHR1
SCHEMBL6935456 0.83 ADA (0.80) ADA
SCHEMBL6938239 0.82 ADA (0.82) ADA
SCHEMBL6939147 0.81 ADA (0.52) ADA
SCHEMBL6938246 0.81 ADA (0.73) ADA
SCHEMBL6938443 0.81 ADA (0.54) ADA
SCHEMBL6939004 0.80 ADA (0.54) 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