SCHEMBL6942253

SCHEMBL6942253

NC(=O)c1cn(C[C@H](CCCn2ccc3ccc(OCc4ccccc4)cc32)OCc2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 13/20 0.56
MCL1 Q07820 5/20 0.42
BCL2 P10415 3/20 0.42
HTR7 P34969 1/20 0.42
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6938447 0.91 ADA (0.49) ADA
SCHEMBL6939006 0.90 ADA (0.48) ADAMCL1
SCHEMBL6939156 0.90 ADA (0.46) ADA
SCHEMBL6941824 0.88 ADA (0.46) ADAHTR7
SCHEMBL6940819 0.84 ADA (0.63) ADAMCHR1
SCHEMBL6936470 0.83 ADA (0.65) ADAMCL1BCL2HTR7
SCHEMBL6133929 0.83 ADA (0.52) ADA
SCHEMBL6940578 0.80 ADA (0.65) ADAMCHR1
SCHEMBL6171229 0.80 ADA (0.42) ADA
SCHEMBL6942246 0.79 ADA (0.62) ADAHTR7

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