SCHEMBL28973979

SCHEMBL28973979

O=C(O)c1ccc2nc(N3CCC(F)(COCc4c(-c5ccccc5C(F)(F)F)noc4C4CC4)CC3)sc2c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.81

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
SCHEMBL28973973 0.90 NR1H4 (1.00) NR1H4
SCHEMBL9959090 0.88 NR1H4 (1.00) NR1H4
SCHEMBL21567650 0.86 NR1H4 (0.77) NR1H4
SCHEMBL21567860 0.86 NR1H4 (0.90) NR1H4
SCHEMBL19122003 0.85 NR1H4 (0.80) NR1H4
SCHEMBL9959168 0.85 NR1H4 (0.94) NR1H4
SCHEMBL30384758 0.83 NR1H4 (0.83) NR1H4
SCHEMBL28973986 0.83 NR1H4 (0.83) NR1H4
SCHEMBL17128561 0.82 NR1H4 (0.82) NR1H4
SCHEMBL9959364 0.82 NR1H4 (0.82) NR1H4

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
CN-110452235-B Fluorine-containing isoxazole compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-02-17 — — CN disclosed
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