SCHEMBL6940656

SCHEMBL6940656

C[C@H](O)[C@@H](CCn1ccc2ccc(NC(=O)CCc3nc4ccccc4n3C)cc21)n1cnc(C(N)=O)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADA P00813 18/20 0.81
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL6940574 0.90 ADA (0.73) ADA
SCHEMBL6935456 0.89 ADA (0.80) ADAADRB1ADRB3
SCHEMBL6935452 0.89 ADA (1.00) ADA
SCHEMBL6936372 0.85 ADA (0.75) ADA
SCHEMBL6938239 0.84 ADA (0.82) ADAADRB1ADRB3
SCHEMBL6940662 0.84 ADA (0.71) ADAADRB1ADRB3
SCHEMBL6938246 0.83 ADA (0.73) ADAADRB1ADRB3
SCHEMBL6938258 0.79 ADA (0.61) ADA
SCHEMBL6942599 0.78 ADA (0.63) ADAADRB1ADRB3
SCHEMBL6942023 0.78 ADA (0.80) 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