SCHEMBL7144293

SCHEMBL7144293

NC(=O)CNC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.56
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
BCHE P06276 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ACHE P22303 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR6 P50406 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PDPK1 O15530 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7144288 1.00 SCN3A (0.56) SCN3AMAOAMAOBBCHEADRA2B
Hydrochloric Acid SCHEMBL195248 0.98 SCN3A (0.55) SCN3AMAOAMAOBBCHEADRA2B
SCHEMBL5193757 0.91 ALDH1A1 (0.58) TAS1R3TAS1R1TAS1R2ALDH1A1HTT
SCHEMBL2467861 0.86 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL30341899 0.86 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL92713 0.86 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL3932599 0.86 MAOA (0.56) MAOAMAOBBCHEADRA2BADRA2C
Hydrochloric Acid SCHEMBL5969990 0.84 MAOA (0.55) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL21447835 0.84 MAOA (0.55) SCN3AMAOAMAOBBCHEADRA2B
SCHEMBL11145013 0.84 MAOA (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1211351-C Alpha-amino acid amides, prepn. thereof and the therapeutic use thereof CHIESI FARMA SPA (IT) 2005-07-20 CN disclosed
EP-0951465-B1 ALPHA-AMINO ACID AMIDES, PREPARATION THEREOF AND THE THERAPEUTICAL USE THEREOF CHIESI FARMA SPA (IT) 2003-04-16 EP disclosed
US-6114391-A A DERIVATIVES OF SERINAMIDE, GLYCINAMIDE, ALANINAMIDE AND PHENYLALANINAMIDE FOR TREATING NEUROLOGICAL DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2000-09-05 US disclosed
CN-1225625-A Alpha-amino acid amides, prepn. thereof and the therapeutic use thereof CHIESI FARMA SPA (IT) 1999-08-11 CN disclosed