SCHEMBL24529700

SCHEMBL24529700

CCN(Cc1cccc(-c2cc(OC)c3nc(C(F)(F)F)cn3c2)c1)C(=O)NC(CCC(F)(F)F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 8/20 0.52
▸ ROCK2 O75116 4/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CDC42BPA Q5VT25 1/20 0.36
▸ PTGES O14684 4/20 0.35
▸ AVPR1B P47901 1/20 0.35
▸ SYK P43405 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ IRAK4 Q9NWZ3 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
SCHEMBL24529288 0.92 HCRTR2 (0.53) HCRTR2ROCK2ROCK1CDC42BPAPTGES
SCHEMBL27180864 0.85 HCRTR2 (0.72) HCRTR2IRAK4
SCHEMBL27180862 0.85 HCRTR2 (0.72) HCRTR2IRAK4
SCHEMBL24529699 0.85 HCRTR2 (0.72) HCRTR2IRAK4
SCHEMBL27179704 0.77 HCRTR2 (0.73) HCRTR2IRAK4
SCHEMBL27179703 0.77 HCRTR2 (0.73) HCRTR2IRAK4
SCHEMBL24529284 0.77 HCRTR2 (0.73) HCRTR2IRAK4
SCHEMBL24529173 0.77 HCRTR2 (0.72) HCRTR2PTGES
SCHEMBL24529470 0.76 HCRTR2 (0.76) HCRTR2
SCHEMBL27180582 0.76 HCRTR2 (0.76) HCRTR2

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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