SCHEMBL29033596

SCHEMBL29033596

NCCc1ccc(NC2CCc3ccccc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.54
SIGMAR1 Q99720 3/20 0.51
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GRIN1 Q05586 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43

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
SCHEMBL30479468 1.00 GRIN2B (0.54) GRIN2BSIGMAR1POLBKMT2ACA1
SCHEMBL29033607 0.80 GRIN2B (0.45) GRIN2BSIGMAR1POLBKMT2ACA1
SCHEMBL4043115 0.80 GRIN2B (0.57) GRIN2BSIGMAR1CA1CA2MAOA
SCHEMBL28583286 0.79 CA1 (0.48) GRIN2BSIGMAR1CA1CA2MAOA
Hydrochloric Acid SCHEMBL4053518 0.78 GRIN2B (0.56) GRIN2BSIGMAR1CA1CA2MAOA
SCHEMBL10399460 0.77 MTNR1A (0.51) GRIN2BSIGMAR1CA1CA2MAOA
SCHEMBL10399768 0.74 TAOK1 (0.55) GRIN2BSIGMAR1POLBKMT2A
SCHEMBL30479478 0.74 NAMPT (0.59) GRIN2BSIGMAR1POLBKMT2ACA1
SCHEMBL29033601 0.74 NAMPT (0.59) GRIN2BSIGMAR1POLBKMT2ACA1
SCHEMBL24427605 0.72 GRM5 (0.46) GRIN2BSIGMAR1CA1CA2MAOA

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