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SCHEMBL16774290

SCHEMBL16774290

CNC(=O)[C@]12CC1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(N=[N+]=[N-])nc31)C(O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 16/20 1.00
▸ ADORA2A P29274 8/20 1.00
▸ TMIGD3 P0DMS9 4/20 1.00
▸ ADORA1 P30542 12/20 0.80
▸ HTR2B P41595 1/20 0.80

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
SCHEMBL20122157 1.00 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL29524384 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL29523882 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL29390151 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL3740313 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL958888 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL28525054 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL13388428 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL958891 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B
SCHEMBL29366953 0.89 ADORA3 (1.00) ADORA3ADORA2ATMIGD3ADORA1HTR2B

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
WO-2015080940-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-04 — — WO disclosed
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