SCHEMBL5316006

SCHEMBL5316006

O=C(O)N1CCc2cc(O)ncc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.39
ESR1 P03372 4/20 0.39
GAA P10253 1/20 0.37
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL8200071 0.86 NAMPT (0.34) ESR2ESR1HSP90AA1HSP90AB1
SCHEMBL30063573 0.86 NOTUM (0.53) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL23856225 0.86 NOTUM (0.53) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL23856219 0.83 KEAP1 (0.50) GAAHPGDKMT2AHTTMAPT
SCHEMBL30062709 0.83 HRH3 (0.41) ESR2ESR1HSP90AA1HSP90AB1
SCHEMBL23856210 0.83 HRH3 (0.41) ESR2ESR1HSP90AA1HSP90AB1
SCHEMBL23856146 0.83 HPGD (0.47) ESR2ESR1GAAHPGDHSP90AA1
SCHEMBL8194675 0.83 NOS3 (0.47) ESR2ESR1GAAHPGDMEN1
SCHEMBL23856195 0.82 MAP3K5 (0.40) ESR2ESR1MEN1KMT2AHSP90AA1
SCHEMBL30063933 0.82 MAP3K5 (0.40) ESR2ESR1MEN1KMT2AHSP90AA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126859-A1 NAPHTHYRIDINE AND PYRIDO[3,4-C]PYRIDAZINE DERIVATIVES AS GABAA ALPHA5 RECEPTOR MODULATORS Richter Gedeon Nyrt. (HU) 2023-02-08 EP disclosed
CN-115348962-A As GABA A Naphthyridines and pyrido [3,4-c ] of alpha 5 receptor modulators]Pyridazine derivatives 吉瑞工厂 2022-11-15 CN disclosed
WO-2021191838-A1 NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA α5 RECEPTOR MODULATORS RICHTER GEDEON NYRT. (HU) 2021-09-30 WO disclosed
CN-101080403-B Novel hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB 2010-09-08 CN disclosed
CN-101080403-A Novel hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-11-28 CN disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed