SCHEMBL5829488

SCHEMBL5829488

OCC1CC(n2cnc3c(NCc4cccc(I)c4)ncnc32)CC1OO

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.70
ADORA2A P29274 10/20 0.63
ADORA1 P30542 7/20 0.63
ADORA2B P29275 2/20 0.62

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
SCHEMBL5829486 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL19583012 0.77 ADORA3 (0.72) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29386433 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL639768 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL639767 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3068488 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17824401 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17825926 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31060406 0.75 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL24414330 0.74 ADORA2A (1.00) ADORA3ADORA2AADORA1

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-7087589-B2 Methanocarba cycloakyl nucleoside analogues THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-08 US disclosed