SCHEMBL22034100

SCHEMBL22034100

Cc1cc(CC2CN(C(=O)O)CCN2C(=O)OC(C)(C)C)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.46
▸ NR1H3 Q13133 3/20 0.46
▸ PARP1 P09874 3/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ ABHD6 Q9BV23 1/20 0.42
▸ DAGLA Q9Y4D2 1/20 0.42
▸ HDAC1 Q13547 1/20 0.40
▸ CCR3 P51677 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KAT7 O95251 1/20 0.36
▸ GPR4 P46093 1/20 0.35
▸ SSTR4 P31391 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
SCHEMBL30554137 0.86 PARP1 (0.63) NR1H2NR1H3PARP1DPP4ABHD6
SCHEMBL22034262 0.79 PARP1 (0.54) NR1H2NR1H3PARP1DPP4HDAC1
SCHEMBL28490941 0.77 PARP1 (0.48) NR1H2NR1H3PARP1MEN1KMT2A
SCHEMBL1183970 0.77 NR1H2 (0.46) NR1H2NR1H3PARP1MEN1KMT2A
SCHEMBL30111484 0.77 NR1H2 (0.46) NR1H2NR1H3PARP1MEN1KMT2A
SCHEMBL21713897 0.76 PARP1 (0.41) NR1H2NR1H3PARP1CCR3GPR119
SCHEMBL3495313 0.75 PARP1 (0.51) NR1H2NR1H3PARP1DPP4ABHD6
SCHEMBL4845425 0.74 PARP1 (0.39) NR1H2NR1H3PARP1DPP4CCR3
SCHEMBL4840180 0.74 NR1H2 (0.40) NR1H2NR1H3PARP1MEN1KMT2A
SCHEMBL4844818 0.74 PARP1 (0.39) NR1H2NR1H3PARP1CCR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327814-A2 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2024-02-28 — — EP disclosed
EP-3891146-B1 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL DERIVATIVES USEFUL AS O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC (US) 2023-09-27 — — EP disclosed
EP-3891146-A1 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-10-13 — — EP disclosed
WO-2020117961-A1 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-06-11 — — WO disclosed
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