SCHEMBL13429355

SCHEMBL13429355

B=C(O)[C@H](CC(C)C)N1CC[C@@]2(CCCN2)C1=O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL1527328 0.89 SMN1; SMN2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL1527326 0.89 SMN1; SMN2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL13059971 0.86 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL9733830 0.85 SMN1; SMN2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL9733710 0.83 POLB (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL9733714 0.83 POLB (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL3042987 0.78 ADAM17 (0.38)
SCHEMBL18806165 0.76
SCHEMBL13740583 0.76 DPP4 (0.38)
SCHEMBL7528133 0.76 MMP1 (0.36)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043444-A2 PHARMACEUTICAL PREPARATION FOR THE TREATMENT AND/OR PREVENTION OF ISCHEMIA/REPERFUSION INJURY AND THE SEQUELS THEREOF FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO disclosed