SCHEMBL29786396

SCHEMBL29786396

CC(C)(C)OC(=O)N1CC(c2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NR3C2 P08235 1/20 0.50
HTT P42858 1/20 0.45
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE4B Q07343 1/20 0.42
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL23123816 1.00 LMNA (0.50) LMNAMAPTALDH1A1NR3C2HTT
SCHEMBL28059309 0.88 MAPT (0.54) LMNAMAPTALDH1A1NR3C2KDM4E
SCHEMBL1546436 0.85 ALDH1A1 (0.61) LMNAMAPTALDH1A1SMN1; SMN2RORC
SCHEMBL521740 0.82 LMNA (0.50) LMNAMAPTALDH1A1NR3C2HTT
SCHEMBL29051883 0.82 MAPT (0.52) LMNAMAPTALDH1A1NR3C2ALOX5
SCHEMBL23124107 0.82 LMNA (0.54) LMNAALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL30796099 0.81 JAK2 (0.48) LMNAMAPTALDH1A1NR3C2ALOX5
SCHEMBL25447137 0.81 MAPT (0.51) LMNAMAPTALDH1A1ALOX5NPC1
SCHEMBL30376728 0.81 MAPT (0.51) LMNAMAPTALDH1A1ALOX5NPC1
SCHEMBL17443259 0.81 ALDH1A1 (0.48) LMNAMAPTALDH1A1NR3C2HTT

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-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed