SCHEMBL6938971

SCHEMBL6938971

CC(C)(O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 12/20 0.70
TAAR1 Q96RJ0 1/20 0.37
JAK3 P52333 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL6940305 0.83 ADA (0.72) ADATAAR1JAK3
SCHEMBL6133731 0.82 ADA (1.00) ADA
Hydrochloric Acid SCHEMBL6133941 0.81 ADA (0.98) ADA
SCHEMBL6939093 0.80 ADA (0.67) ADATAAR1
SCHEMBL6172584 0.77 ADA (0.72) ADA
SCHEMBL6938975 0.74 ADA (0.52) ADATAAR1JAK3TRPV1
SCHEMBL6133735 0.74 ADA (0.59) ADATAAR1
SCHEMBL6170497 0.73 ADA (0.84) ADA
Hydrochloric Acid SCHEMBL6133945 0.73 ADA (0.58) ADATAAR1
SCHEMBL7849285 0.72 ADA (0.47) ADATAAR1JAK3TRPV1

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