SCHEMBL6938142

SCHEMBL6938142

NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADA P00813 20/20 1.00

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
SCHEMBL6935884 0.98 ADA (1.00) ADA
SCHEMBL6936385 0.91 ADA (1.00) ADA
SCHEMBL6936467 0.90 ADA (0.83) ADA
SCHEMBL6938464 0.90 ADA (1.00) ADA
SCHEMBL6942809 0.89 ADA (0.80) ADA
SCHEMBL6937589 0.88 ADA (1.00) ADA
SCHEMBL6938150 0.88 ADA (0.78) ADA
SCHEMBL6940470 0.88 ADA (1.00) ADA
SCHEMBL6941940 0.86 ADA (0.80) ADA
SCHEMBL6935887 0.85 ADA (0.78) 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