SCHEMBL11065703

SCHEMBL11065703

C[C@H]1C=C[C@H](C)N1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
SLC6A9 P48067 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR3 O14843 1/20 0.30
APEX1 P27695 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 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
Rolgamidine SCHEMBL637007 0.70 BACE1 (0.40) LMNAMAPTMEN1KMT2A
SCHEMBL11537621 0.70 SLC6A9 (0.34) ALDH1A1MAPTSLC6A9
SCHEMBL11537623 0.70 SLC6A9 (0.34) ALDH1A1MAPTSLC6A9
SCHEMBL11537617 0.70 SLC6A9 (0.34) ALDH1A1MAPTSLC6A9
SCHEMBL22693278 0.70 FUCA1 (0.38) FFAR3CA12CA9
SCHEMBL9325002 0.68 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1
SCHEMBL13248935 0.67 RECQL (0.41) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13069241 0.67 RECQL (0.41) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17756759 0.67 RECQL (0.41) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3113944 0.67 RECQL (0.41) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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
US-4443467-A N-DIAMINOMETHYLENE-(2,5-DIHYDRO-1H-PYRROL-1-YL)ACETAMIDES JOHN WYETH & BROTHER, LIMITED (GB) 1984-04-17 US disclosed
EP-0040947-A1 Use of guanidines for manufacturing antidiarrhoeal medicaments and antidiarrhoeal compositions containing these guanidines JOHN WYETH & BROTHER LIMITED (GB) 1981-12-02 EP disclosed
US-4140793-A HYPOGLYCEMIC AGENTS, ANTIULCER AGENTS JOHN WYETH & BROTHER, LTD. (GB) 1979-02-20 US disclosed