SCHEMBL9498481

SCHEMBL9498481

OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.98
ADORA2A P29274 6/20 0.98
ADORA2B P29275 4/20 0.98
ADORA1 P30542 4/20 0.98
MEN1 O00255 1/20 0.98
CYP1A2 P05177 1/20 0.98
MAPK1 P28482 1/20 0.98
KMT2A Q03164 1/20 0.98
RXFP1 Q9HBX9 1/20 0.96
PMP22 Q01453 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
TDP1 Q9NUW8 1/20 0.74

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
SCHEMBL120938 1.00 ADORA3 (0.98) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL17808982 1.00 ADORA3 (0.98) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL4803030 1.00 ADORA3 (0.98) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL2492838 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL12264514 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL472609 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL3950346 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL2461163 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL19807522 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL29354999 0.99 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1MEN1

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-B1 USE OF ADENOSINE DERIVATIVES AS ANTI-DEMENTIA AGENTS HOECHST JAPAN LIMITED (JP) 1993-03-24 EP disclosed