SCHEMBL625789

SCHEMBL625789

C[C@@](CCCCN)(NN=[N+]=[N-])C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.33
ODC1 P11926 2/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31

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
SCHEMBL1487659 1.00 FDPS (0.33) FDPSODC1NAALAD2
SCHEMBL19461382 0.95 ODC1 (0.35) FDPSODC1NAALAD2
SCHEMBL4485263 0.95 ODC1 (0.35) FDPSODC1NAALAD2
SCHEMBL7924611 0.74 ODC1 (0.37) FDPSODC1NAALAD2
SCHEMBL6567609 0.74 ODC1 (0.37) FDPSODC1NAALAD2
SCHEMBL2823239 0.74 ODC1 (0.37) FDPSODC1NAALAD2
SCHEMBL10659088 0.74 ODC1 (0.37) FDPSODC1NAALAD2
SCHEMBL30410707 0.71 NAALAD2 (0.47) FDPSODC1NAALAD2
SCHEMBL18428165 0.69 FDPS (0.33) FDPSODC1
SCHEMBL10912285 0.69 ODC1 (0.42) FDPSODC1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021875-A1 PEPTIDOMIMETIC MACROCYCLES WITH TRIAZOLE LINKERS AILERON THERAPEUTICS, INC. (US) 2012-02-16 WO disclosed
EP-2334697-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2011-06-22 EP disclosed
WO-2010034031-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-03-25 WO disclosed