SCHEMBL17112985

SCHEMBL17112985

O=C1N[C@@H]2CCN(C(=O)O)C[C@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL19212832 1.00 SMYD3 (0.30) SMYD3
SCHEMBL1710446 0.87 MGLL (0.35)
SCHEMBL26103771 0.87 MGLL (0.35)
SCHEMBL26103737 0.87 MGLL (0.35)
SCHEMBL21051957 0.85
SCHEMBL26105568 0.81 MGLL (0.31)
SCHEMBL2241400 0.78 MGLL (0.43)
Hydrochloric Acid SCHEMBL17310950 0.78 CHRNA4 (0.38)
SCHEMBL17113314 0.76 RIPK1 (0.30)
SCHEMBL14993512 0.72 MBTD1 (0.30)

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
EP-3414245-A1 ANTIBACTERIAL COMPOUNDS Redx Pharma Plc (GB) 2018-12-19 EP disclosed
WO-2017137742-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
EP-3122751-A1 CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
WO-2015144609-A1 CONDENSED [1,4]DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-01 WO disclosed