SCHEMBL25818360

SCHEMBL25818360

CCCCc1nc2c[n+](O)c3cc(C)sc3c2n1CC1CCN(OC(=O)c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.36
P2RX3 P56373 2/20 0.33
TLR8 Q9NR97 1/20 0.33
AGTR1 P30556 5/20 0.33
AGTR2 P50052 5/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL25818813 0.88 PDE4A (0.39) TLR7TLR8AGTR1AGTR2CNR2
SCHEMBL25818358 0.86 TLR7 (0.38) TLR7P2RX3TLR8AGTR1AGTR2
SCHEMBL25818361 0.81 TLR7 (0.52) TLR7TLR8
SCHEMBL25819010 0.81 GLS (0.38) P2RX3
SCHEMBL25818355 0.79 AGTR1 (0.37) TLR7P2RX3TLR8AGTR1AGTR2
SCHEMBL25818353 0.79 PDE4A (0.42) TLR7TLR8AGTR1AGTR2
SCHEMBL25303740 0.77 P2RX3 (0.43) P2RX3
SCHEMBL25818814 0.74 TLR7 (0.53) TLR7TLR8
SCHEMBL25260616 0.73 RORC (0.37) P2RX3
SCHEMBL25819220 0.73 GLS (0.37)

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-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed