SCHEMBL29723686

SCHEMBL29723686

CCN(C(=O)OC(C)(C)C)[C@H](C)c1cccc(-c2cc(OC(F)F)c3nccn3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 10/20 0.47
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ RAF1 P04049 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ PDE4D Q08499 3/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ CFD P00746 1/20 0.32

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
SCHEMBL27180128 0.89 HCRTR2 (0.48) HCRTR2RAF1BRAFGRIN2BPDE4D
SCHEMBL27180131 0.89 HCRTR2 (0.48) HCRTR2RAF1BRAFGRIN2BPDE4D
SCHEMBL24529350 0.83 TLR9 (0.37) HCRTR2TLR9TLR8TLR7PDE4D
SCHEMBL27179588 0.82 HCRTR2 (0.60) HCRTR2TLR9TLR8TLR7RAF1
SCHEMBL29723610 0.82 HCRTR2 (0.60) HCRTR2TLR9TLR8TLR7RAF1
SCHEMBL24529371 0.82 HCRTR2 (0.60) HCRTR2TLR9TLR8TLR7RAF1
SCHEMBL27179589 0.82 HCRTR2 (0.60) HCRTR2TLR9TLR8TLR7RAF1
SCHEMBL24387029 0.80 HCRTR2 (0.54) HCRTR2
SCHEMBL24529325 0.77 HCRTR2 (0.54) HCRTR2HDAC6
SCHEMBL27179410 0.77 HCRTR2 (0.54) HCRTR2HDAC6

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
EP-4262788-B1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-21 — — EP disclosed
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