SCHEMBL17057870

SCHEMBL17057870

CC(C)SN1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OCCC(C)(C)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 8/20 0.36
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ NPBWR1 P48145 8/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL17057886 0.87 POLB (0.37) MCHR1SLC2A1SLC2A3NPBWR1NPSR1
SCHEMBL11944221 0.86 NPSR1 (0.37) MCHR1SLC2A1SLC2A3NPSR1POLB
SCHEMBL17058047 0.86 MCHR1 (0.33) MCHR1SLC2A1SLC2A3NPSR1POLB
SCHEMBL17058085 0.85 MCHR1 (0.37) MCHR1SLC2A1SLC2A3NPBWR1NPSR1
SCHEMBL17058044 0.79 MCHR1 (0.39) MCHR1SLC2A1SLC2A3NPBWR1NPSR1
SCHEMBL11944133 0.79 NPSR1 (0.37) MCHR1SLC2A1SLC2A3NPSR1POLB
SCHEMBL11944343 0.79 POLB (0.39) MCHR1SLC2A1SLC2A3NPSR1POLB
SCHEMBL17058290 0.79 MCHR1 (0.41) MCHR1SLC2A1SLC2A3NPBWR1NPSR1
SCHEMBL17058052 0.78 NPSR1 (0.34) MCHR1SLC2A1SLC2A3NPBWR1NPSR1
SCHEMBL17057943 0.78 ALDH1A1 (0.36) MCHR1SLC2A1SLC2A3NPSR1POLB

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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