SCHEMBL19021460

SCHEMBL19021460

CC(C)(O)[C@@H]1CCC(NC(=O)c2cnc3cc(OC(F)F)c(Cl)cc3c2)CO1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 20/20 0.56

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
SCHEMBL18987391 1.00 HPGDS (0.56) HPGDS
SCHEMBL18987638 0.87 HPGDS (0.73) HPGDS
SCHEMBL18987641 0.87 HPGDS (0.73) HPGDS
SCHEMBL23812990 0.85 HPGDS (0.77) HPGDS
SCHEMBL19021241 0.85 HPGDS (0.77) HPGDS
SCHEMBL18987615 0.85 HPGDS (0.77) HPGDS
SCHEMBL18987790 0.84 HPGDS (0.61) HPGDS
SCHEMBL18987788 0.84 HPGDS (0.61) HPGDS
SCHEMBL18987411 0.84 HPGDS (0.47) HPGDS
SCHEMBL19021516 0.83 HPGDS (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 — — EP disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 — — WO disclosed
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