SCHEMBL6938150

SCHEMBL6938150

NC(=O)c1cn([C@H](O)CCCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 0.78
MCL1 Q07820 1/20 0.46

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
SCHEMBL6935887 0.97 ADA (0.78) ADAMCL1
SCHEMBL6936392 0.91 ADA (0.78) ADA
SCHEMBL6936470 0.91 ADA (0.65) ADAMCL1
SCHEMBL6938470 0.89 ADA (0.79) ADAMCL1
SCHEMBL6937594 0.88 ADA (0.76) ADAMCL1
SCHEMBL6938142 0.88 ADA (1.00) ADA
SCHEMBL6941537 0.87 ADA (0.77) ADAMCL1
SCHEMBL6942815 0.86 ADA (0.71) ADAMCL1
SCHEMBL6935884 0.85 ADA (1.00) ADA
SCHEMBL6936090 0.85 ADA (0.62) 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