SCHEMBL6940653

SCHEMBL6940653

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.78
PLA2G4A P47712 1/20 0.41
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
PLA2G2A P14555 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
SCHEMBL6941851 0.92 ADA (0.79) ADA
SCHEMBL6936293 0.91 ADA (0.73) ADA
SCHEMBL6939875 0.88 ADA (0.78) ADAPLA2G2A
SCHEMBL6940649 0.88 ADA (1.00) ADA
SCHEMBL6935340 0.86 ADA (0.72) ADAPLA2G4AEGFRIGF1RFLT4
SCHEMBL6941961 0.83 ADA (0.53) ADA
SCHEMBL6935334 0.83 ADA (0.81) ADAEGFRIGF1RFLT4KDR
SCHEMBL6933256 0.82 ADA (0.54) ADA
SCHEMBL6941521 0.81 ADA (0.60) ADA
SCHEMBL6936392 0.81 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