SCHEMBL7629318

SCHEMBL7629318

[CH2]CC(O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
CYP17A1 P05093 1/20 0.46
TSHR P16473 1/20 0.46
CYP19A1 P11511 1/20 0.43
IDO1 P14902 1/20 0.43
KCNA5 P22460 2/20 0.42
TBXAS1 P24557 1/20 0.41
ADRB1 P08588 3/20 0.40
ADRB3 P13945 2/20 0.40
ADRB2 P07550 2/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL30463137 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4476838 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1609153 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6074158 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6927013 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL25233552 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6372735 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6075149 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6074090 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6307776 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153996-B As quinoline and the quinoxaline derivatives of kinase inhibitor UCB PHARMA S.A. (BE) 2016-01-27 CN disclosed
CN-103153996-A Quinoline and quinoxaline derivatives as kinase inhibitors UCB PHARMA SA 2013-06-12 CN disclosed
CN-1235870-C Novel use of phenyl hetero alkylamine derivatives ASTRAZENECA AB (SE) 2006-01-11 CN disclosed
CN-1411435-A Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-16 CN disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed