SCHEMBL25819220

SCHEMBL25819220

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.37
RORC P51449 2/20 0.36
PDE4D Q08499 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
GPR119 Q8TDV5 8/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 1/20 0.33
FPR2 P25090 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CHEK2 O96017 1/20 0.33
TGFBR1 P36897 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
SCHEMBL25301552 0.92 RORC (0.37) GLSRORCGPR119KDM4EMAPT
SCHEMBL25819010 0.92 GLS (0.38) GLSRORCPDE4DPDE4APDE4B
SCHEMBL25819006 0.85 GLS (0.39) GLSRORCGPR119FAAHFPR2
SCHEMBL31270623 0.85 GLS (0.39) GLSRORCGPR119FAAHFPR2
SCHEMBL30484348 0.83 RORC (0.37) GLSRORCGPR119KDM4EMAPT
SCHEMBL25260616 0.83 RORC (0.37) GLSRORCGPR119KDM4EMAPT
SCHEMBL25819166 0.82 TLR7 (0.45)
SCHEMBL25296505 0.79 GLS (0.38) GLSRORCKDM4EMAPTFPR2
SCHEMBL25262168 0.78 ADORA2B (0.41) GLSRORCGPR119FAAHCHEK2
SCHEMBL31270748 0.78 ADORA2B (0.41) GLSRORCGPR119FAAHCHEK2

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