SCHEMBL29033607

SCHEMBL29033607

NC(=O)OCCc1ccc(NC2CCc3ccccc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
SIGMAR1 Q99720 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 1/20 0.40
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL29033596 0.80 GRIN2B (0.54) GRIN2BPOLBKMT2AMTNR1AMTNR1B
SCHEMBL30479468 0.80 GRIN2B (0.54) GRIN2BPOLBKMT2AMTNR1AMTNR1B
SCHEMBL29033601 0.76 NAMPT (0.59) GRIN2BPOLBKMT2AMTNR1AMTNR1B
SCHEMBL30479478 0.76 NAMPT (0.59) GRIN2BPOLBKMT2AMTNR1AMTNR1B
SCHEMBL10399460 0.72 MTNR1A (0.51) GRIN2BMTNR1AMTNR1BSIGMAR1CA1
SCHEMBL4043115 0.72 GRIN2B (0.57) GRIN2BMTNR1AMTNR1BSIGMAR1CA1
Hydrochloric Acid SCHEMBL4053518 0.70 GRIN2B (0.56) GRIN2BMTNR1AMTNR1BSIGMAR1CA1
SCHEMBL7095594 0.70 ADRB3 (0.46) CA1CA2
SCHEMBL10399768 0.69 TAOK1 (0.55) GRIN2BPOLBKMT2ASIGMAR1
SCHEMBL28583286 0.69 CA1 (0.48) GRIN2BMTNR1AMTNR1BSIGMAR1CA1

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
CN-116444517-B Carboxamide compound and application thereof in preparation of deubiquitinase USP28 inhibitor 苏州大学 2024-06-21 CN disclosed
CN-116444517-A Carboxamide compound and application thereof in preparation of deubiquitinase USP28 inhibitor 苏州大学 2023-07-18 CN disclosed