SCHEMBL7659436

SCHEMBL7659436

NC(=O)c1cn(C(CO)CCc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.71
NR3C2 P08235 1/20 0.44

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
SCHEMBL7457279 0.86 ADA (0.78) ADA
SCHEMBL7668671 0.85 ADA (0.77) ADA
SCHEMBL7664981 0.85 ADA (0.77) ADA
SCHEMBL7659446 0.83 ADA (0.47) ADANR3C2
Fr-221647 SCHEMBL7659103 0.83 ADA (1.00) ADA
SCHEMBL6172982 0.82 ADA (0.47) ADANR3C2
SCHEMBL7452591 0.80 ADA (0.66) ADA
SCHEMBL27547750 0.80 ADA (0.80) ADA
SCHEMBL7656859 0.80 ADA (0.68) ADA
SCHEMBL6173086 0.77 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-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed