SCHEMBL30967180

SCHEMBL30967180

NCc1ccc(C#CC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 5/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ASIC3 Q9UHC3 1/20 0.41
▸ MAOB P27338 5/20 0.40
▸ PLAU P00749 1/20 0.39
▸ ABAT P80404 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.35
▸ F10 P00742 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 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
SCHEMBL31103489 0.79 DRD5 (0.37) HRH3HAO1CA12CA1CA2
SCHEMBL22353122 0.76 APP (0.59) MAOBHAO1
SCHEMBL11782098 0.74 LOXL2 (0.73) LOXL2HRH3ASIC3MAOBPLAU
SCHEMBL23252110 0.73 LOXL2 (0.56) LOXL2HRH3ASIC3MAOBPLAU
SCHEMBL3432676 0.73 GRM5 (0.37) HAO1CA1CA2CA7CA9
SCHEMBL28831965 0.71 KIF11 (0.48) LOXL2MAOBHAO1CA12CA1
SCHEMBL28832028 0.71 KCNH2 (0.39) MAOBHAO1
SCHEMBL24837827 0.71 LOXL2 (0.54) LOXL2HRH3ASIC3MAOBPLAU
SCHEMBL11782799 0.71 ASIC3 (0.69) LOXL2HRH3ASIC3MAOBPLAU
SCHEMBL31380183 0.71 APP (0.36) HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4618974-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-09-24 — — EP disclosed
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 — — WO disclosed
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