SCHEMBL9953669

SCHEMBL9953669

NCCC[C@@](N)(C(=O)O)C(=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.47
LMNA P02545 3/20 0.44
BLM P54132 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PMP22 Q01453 1/20 0.44
THRB P10828 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL9954611 1.00 ODC1 (0.47) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL9953431 0.94 ODC1 (0.41) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL9953696 0.94 ODC1 (0.41) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL29116696 0.89 ODC1 (0.56) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL2115160 0.82 ODC1 (0.48) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL28869340 0.80 ODC1 (0.47) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL3744397 0.77 ODC1 (0.48) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL3744393 0.77 ODC1 (0.48) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL3627363 0.77 ODC1 (0.48) ODC1LMNABLMSMN1; SMN2KDM4E
SCHEMBL11849715 0.74 ODC1 (0.43) ODC1LMNABLMSMN1; SMN2KDM4E

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-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 WO disclosed