SCHEMBL24529380

SCHEMBL24529380

CCC(CCC(F)(F)F)NC(=O)N(CC)Cc1cccc(-c2cc(OC(F)F)c3nccn3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 8/20 0.42
▸ PTGES O14684 3/20 0.35
▸ EPHB4 P54760 2/20 0.34
▸ CFD P00746 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ JAK1 P23458 3/20 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
SCHEMBL29723610 0.85 HCRTR2 (0.60) HCRTR2HDAC6
SCHEMBL27179588 0.85 HCRTR2 (0.60) HCRTR2HDAC6
SCHEMBL27179589 0.85 HCRTR2 (0.60) HCRTR2HDAC6
SCHEMBL24529371 0.85 HCRTR2 (0.60) HCRTR2HDAC6
SCHEMBL29723314 0.82 HCRTR2 (0.43) HCRTR2PTGDR2
SCHEMBL24529219 0.82 HCRTR2 (0.43) HCRTR2PTGDR2
SCHEMBL27180048 0.82 HCRTR2 (0.43) HCRTR2PTGDR2
SCHEMBL24529350 0.81 TLR9 (0.37) HCRTR2EPHB4CFDPTGDR2PDE4D
SCHEMBL24529283 0.81 EPHB4 (0.41) HCRTR2EPHB4
SCHEMBL24529508 0.77 HCRTR2 (0.62) HCRTR2EPHB4HDAC6

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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