SCHEMBL7848353

SCHEMBL7848353

Cc1[nH]c2ccccc2c1CC[C@H](CO)n1cnc(C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADA P00813 15/20 0.62
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
PABPC1 P11940 1/20 0.40
ALOX15 P16050 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
SCHEMBL7848394 0.87 ADA (0.53) ADA
SCHEMBL7836767 0.83 ADA (0.68) ADA
SCHEMBL7847452 0.81 ADA (0.67) ADA
Fr-221647 SCHEMBL7659103 0.77 ADA (1.00) ADA
SCHEMBL7664214 0.76 ADA (1.00) ADA
SCHEMBL6941954 0.76 ADA (0.69) ADA
SCHEMBL7848923 0.75 CYP1A2 (0.41) ADAGAA
SCHEMBL6173086 0.75 ADA (0.78) ADA
SCHEMBL7670504 0.74 ADA (0.75) ADA
SCHEMBL6936180 0.73 ADA (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161429-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
WO-2000055155-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-21 WO disclosed