SCHEMBL9739507

SCHEMBL9739507

CCCCc1nc(C)c(CC)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.42
TLR7 Q9NYK1 5/20 0.42
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
NOS2 P35228 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
CASP1 P29466 1/20 0.34

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
SCHEMBL27742843 0.87 TLR8 (0.44) TLR8TLR7NOS2
SCHEMBL28330927 0.82 TLR8 (0.37) TLR8TLR7ADORA1NOS2
SCHEMBL9738954 0.81 ADORA2A (0.40) TLR8TLR7ADORA2AADORA2BADORA1
SCHEMBL9843662 0.78 MAPT (0.37) TLR8TLR7
SCHEMBL9739003 0.78 TLR8 (0.36) TLR8TLR7
SCHEMBL30035562 0.75 TLR8 (0.59) TLR8TLR7
SCHEMBL20242690 0.75 TLR8 (0.59) TLR8TLR7
SCHEMBL13531385 0.74 TLR8 (0.43) TLR8TLR7
SCHEMBL22745738 0.72 RAB9A (0.47) TLR8TLR7
SCHEMBL16229363 0.71 TLR8 (0.65) TLR8TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100897-A Hypotensive agents, congestive heart failure, ocular hypertension MERCK & CO., INC. (US) 1992-03-31 US disclosed
EP-0419048-A2 Substituted pyrimidinones as angiotensin II antagonists MERCK & CO. INC. (US) 1991-03-27 EP disclosed