SCHEMBL6940649

SCHEMBL6940649

Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccccc3)ccc21

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
SCHEMBL6941844 0.92 ADA (1.00) ADA
SCHEMBL6936287 0.91 ADA (0.95) ADA
SCHEMBL6935334 0.90 ADA (0.81) ADA
SCHEMBL6939869 0.89 ADA (1.00) ADA
SCHEMBL6940653 0.88 ADA (0.78) ADA
SCHEMBL6935340 0.84 ADA (0.72) ADA
SCHEMBL6941954 0.82 ADA (0.69) ADA
SCHEMBL6942581 0.82 ADA (0.81) ADA
SCHEMBL6933250 0.82 ADA (0.71) ADA
SCHEMBL6938182 0.82 ADA (0.69) 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