SCHEMBL5325150

SCHEMBL5325150

C/C=C/C(C)C/C(N)=C/C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL4929748 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL5325153 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL5279367 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL4933499 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL4929742 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL4933494 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL5330345 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL4929751 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL5325160 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT
SCHEMBL4933491 1.00 NPSR1 (0.41) NPSR1ALOX15HCAR2MAPT

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-1863780-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pharmacia & Upjohn Company LLC (US) 2007-12-12 EP disclosed
WO-2006100568-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed