SCHEMBL689734

SCHEMBL689734

CN1C[C@@H](O)C[C@@H]1OC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
PIK3CD O00329 2/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33

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
SCHEMBL689913 1.00 ATM (0.36) ATMPIK3CDCHRM2CHRM4CHRM5
SCHEMBL690930 1.00 ATM (0.36) ATMPIK3CDCHRM2CHRM4CHRM5
SCHEMBL690216 1.00 ATM (0.36) ATMPIK3CDCHRM2CHRM4CHRM5
SCHEMBL688827 0.77 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8282341 0.72
SCHEMBL690215 0.68 ATM (0.59) ATMPIK3CD
SCHEMBL1303907 0.68 ATM (0.59) ATMPIK3CD
SCHEMBL689912 0.68 ATM (0.59) ATMPIK3CD
SCHEMBL688928 0.68
SCHEMBL589712 0.68 ATM (0.59) ATMPIK3CD

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
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed