SCHEMBL4627342

SCHEMBL4627342

CCCC(O)CCCCC(O)C(c1cccc(Br)n1)c1cccc(-c2c(C)cc(C)cc2C)n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL4627339 0.76 CRHR1 (0.33) CRHR1
SCHEMBL2070175 0.70 LTB4R (0.34) CRHR1IRAK4
SCHEMBL2072180 0.70 HTR7 (0.37) CRHR1
SCHEMBL31458627 0.70 HTR7 (0.37) CRHR1
SCHEMBL4628888 0.69 HTR7 (0.36) CRHR1
SCHEMBL4627833 0.65 LTB4R (0.34)
SCHEMBL4835739 0.65 IRAK4 (0.40) IRAK4
SCHEMBL4835904 0.64 IRAK4 (0.39) IRAK4
SCHEMBL4840772 0.64 IRAK4 (0.39) IRAK4
SCHEMBL4837461 0.64 IRAK4 (0.39) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed