SCHEMBL4436739

SCHEMBL4436739

N[C@@H](O)CC1Cc2ccccc2N1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ACE P12821 3/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL4289075 0.80 DRD2 (0.53) NOTUMACEDRD2DRD4
SCHEMBL7554164 0.80 DRD2 (0.53) NOTUMACEDRD2DRD4
SCHEMBL30681441 0.80 DRD2 (0.53) NOTUMACEDRD2DRD4
SCHEMBL7993369 0.79 DRD2 (0.54) NOTUMACEDRD2DRD4
SCHEMBL4386325 0.78 NOTUM (0.44) NOTUMACE
SCHEMBL23535880 0.77 OPRM1 (0.44) ACE
SCHEMBL30681525 0.75 NOTUM (0.48) NOTUMACE
SCHEMBL9930255 0.74 NOTUM (0.43) NOTUMACE
SCHEMBL30681248 0.74 DRD2 (0.45) NOTUMDRD2DRD4
SCHEMBL23113116 0.73 NOTUM (0.51) NOTUMACE

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-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed