SCHEMBL23812967

SCHEMBL23812967

CC(C)(O)C1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 20/20 1.00

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
SCHEMBL18987808 1.00 HPGDS (1.00) HPGDS
SCHEMBL18987811 1.00 HPGDS (1.00) HPGDS
SCHEMBL18987547 0.91 HPGDS (0.83) HPGDS
SCHEMBL18987550 0.91 HPGDS (0.83) HPGDS
SCHEMBL19019589 0.89 HPGDS (1.00) HPGDS
SCHEMBL19021423 0.87 HPGDS (0.77) HPGDS
SCHEMBL18987536 0.87 HPGDS (0.82) HPGDS
SCHEMBL19021241 0.87 HPGDS (0.77) HPGDS
SCHEMBL18987539 0.87 HPGDS (0.82) HPGDS
SCHEMBL23812990 0.87 HPGDS (0.77) 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
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 — — EP disclosed
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