SCHEMBL14080902

SCHEMBL14080902

Cc1cc(F)cc(-n2ncc(N3CCN([S+]([O-])Cc4cc(F)cc(F)c4N)CC3)c(OCC3(C)CC3)c2=O)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL17058218 0.87 ALDH1A1 (0.31) NPBWR1MCHR1
SCHEMBL17057972 0.82 POLB (0.33) —
SCHEMBL17058559 0.81 POLB (0.33) NPBWR1
SCHEMBL11944458 0.80 MAPT (0.36) —
SCHEMBL17058535 0.80 SMN1; SMN2 (0.35) —
SCHEMBL17058289 0.80 NPBWR1 (0.34) NPBWR1MCHR1
SCHEMBL17057833 0.79 NPBWR1 (0.32) NPBWR1MCHR1
SCHEMBL17058174 0.79 POLB (0.34) —
SCHEMBL17057853 0.78 SMN1; SMN2 (0.35) NPBWR1MCHR1
SCHEMBL17057817 0.78 SMN1; SMN2 (0.38) NPBWR1MCHR1

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-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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