SCHEMBL30341899

SCHEMBL30341899

O=C(O)CNC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.56
MAOB P27338 4/20 0.56
BCHE P06276 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ACHE P22303 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR6 P50406 1/20 0.56
PDPK1 O15530 1/20 0.53
EPHX2 P34913 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL92713 1.00 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3932599 1.00 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL2467861 1.00 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL11145013 0.98 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
Hydrochloric Acid SCHEMBL5969990 0.98 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL11145021 0.98 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL5901234 0.91 HTT (0.61) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL5963105 0.87 MAOA (0.45) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL7144288 0.86 SCN3A (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL7144293 0.86 SCN3A (0.56) MAOAMAOBBCHEADRA2BADRA2C

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-119954890-A Optically pure small peptide chemiluminescent probe and application thereof in mycobacterium tuberculosis recognition 广东工业大学 2025-05-09 CN disclosed
EP-4167745-A1 COMPOSITIONS COMPRISING AROMATIC DIPEPTIDES-BASED STRUCTURES ENCAPSULATING AN ESTERASE AND USES THEREOF Migal Galilee Research Institute Ltd. (IL) 2023-04-26 EP disclosed