SCHEMBL4592504

SCHEMBL4592504

CNC1CCN(C(C)C)CC1.O=C1c2ccccc2C(=O)N1CCS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
ACHE P22303 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39
MAPT P10636 1/20 0.38
KDM1A O60341 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4592501 0.83 MAOB (0.48) MAOBACHEALDH1A1KMT2AMAPT
SCHEMBL222333 0.83 MAOB (0.52) MAOBACHEALDH1A1DRD2KDM1A
SCHEMBL4592502 0.76 MAOB (0.50) MAOBACHEALDH1A1MAPT
SCHEMBL496740 0.76 GLS (0.53) ALDH1A1KMT2AMAPTHPGD
SCHEMBL219546 0.75 MAOB (0.51) MAOBACHEDRD2HPGD
Potassium SCHEMBL6284198 0.75 GLS (0.52) ALDH1A1KMT2AMAPTHPGD
SCHEMBL6284185 0.75 GLS (0.52) ALDH1A1KMT2AMAPTHPGD
Taurine SCHEMBL4593157 0.74 LMNA (0.41) ALDH1A1MAPTKDM1A
SCHEMBL221260 0.70 MAOB (0.46) MAOBACHEDRD2
SCHEMBL918303 0.68 TDP1 (0.51) MAPT

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
EP-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed