SCHEMBL6576895

SCHEMBL6576895

CC(C)(C)c1cc([C@H]2O[C@@H](n3cnc4c(Nc5ccccc5Cl)ncnc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.48
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 2/20 0.48
PRMT5 O14744 3/20 0.47
WDR77 Q9BQA1 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
NPY1R P25929 1/20 0.47
HTT P42858 1/20 0.47
NPY2R P49146 1/20 0.47
RAB9A P51151 1/20 0.47
SLC29A1 Q99808 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6576769 0.92 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BPRMT5
SCHEMBL6574859 0.87 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BPRMT5
SCHEMBL6572976 0.87 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL6575204 0.86 LMNA (0.51) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL6573848 0.82 ADORA3 (0.52) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6572724 0.81 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BPMP22
SCHEMBL6572852 0.80 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BPMP22
SCHEMBL6575152 0.79 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL6573981 0.79 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2BPMP22
SCHEMBL6574628 0.78 ADORA1 (0.51) ADORA3ADORA2AADORA1ADORA2B

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-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed