SCHEMBL13284352

SCHEMBL13284352

COC[C@@H]1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(N)cn34)nn(C)c2c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.81
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PDE4B Q07343 1/20 0.39
RAB9A P51151 2/20 0.39
CAMK1D Q8IU85 1/20 0.39
AXL P30530 1/20 0.37
POLB P06746 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL13284350 1.00 ADORA2A (0.81) ADORA2ATLR8TLR7PDE4BRAB9A
SCHEMBL1356263 0.89 ADORA2A (1.00) ADORA2ATLR8TLR7PDE4BRAB9A
SCHEMBL1352825 0.89 ADORA2A (1.00) ADORA2ATLR8TLR7PDE4BRAB9A
SCHEMBL8444460 0.82 ADORA2A (0.78) ADORA2A
SCHEMBL8446498 0.81 ADORA2A (0.80) ADORA2A
SCHEMBL8448329 0.81 ADORA2A (0.80) ADORA2A
SCHEMBL13284477 0.79 ADORA2A (0.69) ADORA2A
SCHEMBL1355638 0.77 ADORA2A (0.73) ADORA2APOLB
SCHEMBL8444474 0.76 ADORA2A (0.54) ADORA2A
SCHEMBL1355237 0.72 ADORA2A (0.81) ADORA2ARAB9APOLBNPC1

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-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed