SCHEMBL19021496

SCHEMBL19021496

O=C(N[C@H]1CC[C@H](C(O)O)CC1)c1cnc2cc(OC(F)F)ccc2c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 20/20 0.75

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
SCHEMBL18987565 0.94 HPGDS (0.75) HPGDS
SCHEMBL18987566 0.94 HPGDS (0.75) HPGDS
SCHEMBL23812903 0.94 HPGDS (0.75) HPGDS
SCHEMBL19021422 0.92 HPGDS (0.75) HPGDS
SCHEMBL18987653 0.92 HPGDS (0.75) HPGDS
SCHEMBL23812912 0.92 HPGDS (0.75) HPGDS
SCHEMBL19021425 0.92 HPGDS (0.75) HPGDS
SCHEMBL18987656 0.92 HPGDS (0.75) HPGDS
SCHEMBL23731054 0.90 HPGDS (0.73) HPGDS
SCHEMBL18988077 0.90 HPGDS (0.73) HPGDS

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-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 — — WO disclosed
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