SCHEMBL6935293

SCHEMBL6935293

CCCCCCOc1ccc2c(ccn2CCC[C@@H](O)n2cnc(C(N)=O)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 14/20 0.77
PLA2G4A P47712 2/20 0.44
MCL1 Q07820 2/20 0.42
BCL2 P10415 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40

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
SCHEMBL6941537 0.93 ADA (0.77) ADAMCL1
SCHEMBL6937594 0.90 ADA (0.76) ADAMCL1
SCHEMBL6935289 0.87 ADA (1.00) ADA
SCHEMBL6936392 0.86 ADA (0.78) ADAITGB3ITGAV
SCHEMBL6941259 0.86 ADA (0.71) ADAPLA2G4AMCL1BCL2
SCHEMBL6941256 0.82 ADA (0.80) ADA
SCHEMBL6938150 0.81 ADA (0.78) ADAMCL1
SCHEMBL6939875 0.80 ADA (0.78) ADA
SCHEMBL6940470 0.80 ADA (1.00) ADA
SCHEMBL6935887 0.80 ADA (0.78) ADAMCL1

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