SCHEMBL10687080

SCHEMBL10687080

CCNC(=O)C(OC1CCCCC1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.59
▸ ADORA2B P29275 5/20 0.59
▸ TSHR P16473 3/20 0.59
▸ ADORA2A P29274 3/20 0.59
▸ ADORA1 P30542 3/20 0.59
▸ HSP90B1 P14625 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ HSP90AA1 P07900 2/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ TMIGD3 P0DMS9 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ AHCY P23526 2/20 0.53
▸ EHMT2 Q96KQ7 1/20 0.51
▸ EHMT1 Q9H9B1 1/20 0.51

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
SCHEMBL6406587 0.86 AHCY (0.56) ADORA3ADORA2BTSHRADORA2AADORA1
SCHEMBL1000839 0.82 ADORA2B (0.69) ADORA3ADORA2BTSHRADORA2AADORA1
SCHEMBL11413667 0.82 ADORA2B (0.69) ADORA3ADORA2BTSHRADORA2AADORA1
SCHEMBL7924078 0.80 AHCY (0.53) ADORA3ADORA2BTSHRADORA2AADORA1
SCHEMBL1093486 0.80 EHMT1 (0.56) ADORA3ADORA2BADORA2AADORA1MAPK1
SCHEMBL5685760 0.79 AHCY (0.54) ADORA3ADORA2BTSHRADORA2AADORA1
SCHEMBL5354507 0.79 ADORA3 (0.56) ADORA3ADORA2BTSHRADORA2AADORA1
SCHEMBL6692383 0.77 AHCY (0.54) ADORA3ADORA2BADORA2AADORA1AHCY
SCHEMBL11415994 0.77 ADORA2B (0.69) ADORA3ADORA2BTSHRADORA2AADORA1
SCHEMBL11416011 0.77 ADORA2B (0.69) ADORA3ADORA2BTSHRADORA2AADORA1

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
EP-0253962-A2 Use of adenosine derivatives as anti-dementia agents HOECHST JAPAN LIMITED (JP) 1988-01-27 — — EP disclosed
Send feedback