SCHEMBL17058065

SCHEMBL17058065

CC(C)(O)CCOc1c(N2CCN(SCc3ccncc3)CC2)cnn(-c2cc(F)cc(F)c2)c1=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ DCTPP1 Q9H773 1/20 0.30
▸ GPR119 Q8TDV5 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
SCHEMBL17058052 0.94 NPSR1 (0.34) SLC2A1SLC2A3MCHR1DCTPP1
SCHEMBL11944291 0.85 MAPT (0.38) SLC2A1SLC2A3GRM5DCTPP1
SCHEMBL17058048 0.80 PDE4A (0.35) SLC2A1SLC2A3MCHR1
SCHEMBL17058398 0.80 SLC2A1 (0.33) SLC2A1SLC2A3MCHR1DCTPP1
SCHEMBL17057784 0.80 ALDH1A1 (0.35) SLC2A1SLC2A3GRM5DCTPP1
SCHEMBL17058397 0.80 ALDH1A1 (0.35) SLC2A1SLC2A3GRM5DCTPP1
SCHEMBL17058243 0.80 ALDH1A1 (0.36) SLC2A1SLC2A3MCHR1DCTPP1
SCHEMBL11944190 0.78 NPSR1 (0.40) SLC2A1SLC2A3DCTPP1
SCHEMBL11944315 0.78 MAPT (0.44) DCTPP1
SCHEMBL17057800 0.78 SLC2A1 (0.31) SLC2A1SLC2A3

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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