SCHEMBL24263236

SCHEMBL24263236

CC(C)(C)C(=O)NC1CCc2n[nH]c(=O)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KDM5A P29375 1/20 0.39
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
CCR2 P41597 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
ACHE P22303 4/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL24263104 0.86 MTNR1A (0.50) GAAKDM5AMTNR1AMTNR1BCA1
SCHEMBL24263216 0.82 MTNR1A (0.44) GAAKDM5AMTNR1AMTNR1BCA1
SCHEMBL24263107 0.82 MTNR1A (0.53) GAAKDM5AMTNR1AMTNR1BCA1
SCHEMBL24263240 0.82 GAA (0.43) GAAKDM5AMTNR1AMTNR1B
SCHEMBL24263084 0.82 KMT2A (0.42) GAAMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL24263080 0.81 MTNR1A (0.55) GAAKDM5AMTNR1AMTNR1BCA1
SCHEMBL24263243 0.79 GAA (0.43) GAAKDM5AMTNR1AMTNR1BCCR2
SCHEMBL24263128 0.79 RAB9A (0.47) GAAMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL24263105 0.79 MTNR1A (0.47) GAAMTNR1AMTNR1BCA1CA2
SCHEMBL24263127 0.78 MTNR1A (0.46) GAAKDM5AMTNR1AMTNR1B

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
WO-2022040508-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-02-24 WO disclosed