SCHEMBL9901721

SCHEMBL9901721

CCOC(=O)CCN(C(=O)c1ccc2[nH]c(CNc3ccc(C#N)cc3)nc2c1C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.46
F2 P00734 3/20 0.41
NR1I2 O75469 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
SLC6A2 P23975 1/20 0.41
AGTR1 P30556 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN5A Q14524 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SLC22A2 O15244 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
PROC P04070 1/20 0.35
HPN P05981 1/20 0.35

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
Acetic Acid SCHEMBL17065511 0.98 NQO2 (0.45) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL7119663 0.94 NQO2 (0.45) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL9901594 0.88 NQO2 (0.60) NQO2F2NR1I2ADORA3SLC6A2
Hydrochloric Acid SCHEMBL9902965 0.88 NQO2 (0.59) NQO2F2NR1I2ADORA3SLC6A2
Oxalic Acid SCHEMBL9901233 0.86 NQO2 (0.58) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL15562470 0.86 NQO2 (0.57) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL16166405 0.86 NQO2 (0.57) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL15562472 0.85 NQO2 (0.56) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL7445637 0.84 ALDH1A1 (0.39) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL9901472 0.82 NQO2 (0.53) NQO2F2NR1I2ADORA3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015132794-A1 IMPROVED PROCESSES FOR THE PREPARATION OF DABIGATRAN ETEXILATE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2015-09-11 WO claimed
WO-2014020555-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2014-02-06 WO claimed
EP-2649060-A2 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN Laboratories Limited (IN) 2013-10-16 EP claimed
WO-2012077136-A2 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2012-06-14 WO claimed
WO-2015132794-A1 IMPROVED PROCESSES FOR THE PREPARATION OF DABIGATRAN ETEXILATE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2015-09-11 WO disclosed
WO-2014192030-A2 AN IMPROVED PROCESS FOR PREPARATION OF DABIGATRAN ETEXILATE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2014-12-04 WO disclosed
WO-2014020555-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2014-02-06 WO disclosed
EP-2649060-A2 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN Laboratories Limited (IN) 2013-10-16 EP disclosed
WO-2012077136-A2 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2012-06-14 WO disclosed