SCHEMBL16774158

SCHEMBL16774158

CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@@H](O)C2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 1.00
▸ SLC6A2 P23975 4/20 1.00
▸ SLC6A3 Q01959 4/20 1.00
▸ KCNH2 Q12809 1/20 1.00
▸ TMIGD3 P0DMS9 7/20 0.87
▸ OPRD1 P41143 1/20 0.85
▸ ADRB3 P13945 1/20 0.83
▸ ADORA1 P30542 1/20 0.83
▸ CYP2D6 P10635 1/20 0.83
▸ ADORA2A P29274 1/20 0.83
▸ HTR2C P28335 2/20 0.82

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
SCHEMBL21779341 1.00 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL16774080 1.00 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL20122097 1.00 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL21779320 1.00 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL30255426 1.00 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL16774299 0.92 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL21779340 0.92 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL20122070 0.92 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL16774174 0.92 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3
SCHEMBL20122091 0.92 ADORA3 (1.00) ADORA3SLC6A2SLC6A3KCNH2TMIGD3

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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