SCHEMBL24529426

SCHEMBL24529426

CCN[C@H](C)c1cc(-c2cn3ncnc3c(OC)n2)c(OC)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 4/20 0.41
▸ TLR8 Q9NR97 4/20 0.32
▸ TLR7 Q9NYK1 4/20 0.32
▸ TLR9 Q9NR96 3/20 0.32
▸ ACVR2A P27037 2/20 0.31
▸ TGFBR2 P37173 2/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL24387010 0.89 HCRTR2 (0.34) HCRTR2
SCHEMBL24387056 0.89 HCRTR2 (0.34) HCRTR2TLR8TLR7TLR9
Hydrochloric Acid SCHEMBL29750119 0.88 HCRTR2 (0.33) HCRTR2TLR8TLR7TLR9
SCHEMBL27181053 0.87 HCRTR2 (0.43) HCRTR2
SCHEMBL27181057 0.87 HCRTR2 (0.43) HCRTR2
SCHEMBL24529568 0.82 HCRTR2 (0.57) HCRTR2
SCHEMBL24529391 0.82 HCRTR2 (0.44) HCRTR2
SCHEMBL24387527 0.81 HCRTR2 (0.39) HCRTR2TLR8TLR7TLR9
SCHEMBL24529427 0.80 HCRTR2 (0.33) HCRTR2TLR8TLR7TLR9ACVR2A
SCHEMBL24529233 0.79 HCRTR2 (0.41) HCRTR2TLR8TLR7TLR9PIK3CD

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
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