SCHEMBL7324767

SCHEMBL7324767

CC(C)(C)C(c1cccnc1)N(CCO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TBXAS1 P24557 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL28068136 0.84 MEN1 (0.40) SMN1; SMN2LMNAL3MBTL1SLC6A2SLC6A4
SCHEMBL4595422 0.74 FFAR1 (0.42)
SCHEMBL4068261 0.72 SLC6A2 (0.41) SMN1; SMN2L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL8948307 0.71 KDM4E (0.44) KCNA5KCNH2SMN1; SMN2TBXAS1ALDH1A1
SCHEMBL11006868 0.70 TBXAS1 (0.45) KCNA5SMN1; SMN2TBXAS1ALDH1A1LMNA
SCHEMBL10613169 0.69 SMN1; SMN2 (0.49) KCNA5SMN1; SMN2TBXAS1ALDH1A1LMNA
SCHEMBL25152962 0.69 ITGB3 (0.47) SMN1; SMN2TBXAS1LMNAL3MBTL1CFTR
SCHEMBL11861003 0.69 KCNA5 (0.51) KCNA5KCNH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL25152516 0.69 ITGB3 (0.47) SMN1; SMN2TBXAS1LMNAL3MBTL1CFTR
SCHEMBL11870969 0.68 KCNA5 (0.45) KCNA5KCNH2SMN1; SMN2LMNACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed