SCHEMBL9901594

SCHEMBL9901594

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.60
F2 P00734 9/20 0.48
SLC22A2 O15244 1/20 0.48
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
PROC P04070 1/20 0.48
HPN P05981 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
SLC47A2 Q86VL8 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
NR1I2 O75469 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
SLC6A2 P23975 1/20 0.46
AGTR1 P30556 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SCN5A Q14524 1/20 0.46
KLK1 P06870 5/20 0.43

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
Hydrochloric Acid SCHEMBL9902965 0.99 NQO2 (0.59) NQO2F2SLC22A2F10PLG
Oxalic Acid SCHEMBL9901233 0.98 NQO2 (0.58) NQO2F2SLC22A2F10PLG
SCHEMBL16166405 0.97 NQO2 (0.57) NQO2F2SLC22A2F10PLG
SCHEMBL9901472 0.93 NQO2 (0.53) NQO2F2SLC22A2F10PLG
SCHEMBL15286627 0.92 F2 (0.56) NQO2F2SLC22A2F10PLG
SCHEMBL15142160 0.90 NQO2 (0.48) NQO2F2KLK1KLK5ALDH1A1
Hydrochloric Acid SCHEMBL15141690 0.90 NQO2 (0.47) NQO2F2KLK1KLK5ALDH1A1
Hydrochloric Acid SCHEMBL7447095 0.89 NQO2 (0.54) NQO2F2SLC22A2F10PLG
SCHEMBL9901721 0.88 NQO2 (0.46) NQO2F2SLC22A2F10PLG
SCHEMBL15745111 0.87 NQO2 (0.71) NQO2F2SLC22A2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP claimed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 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-2013124749-A1 NOVEL POLYMORPH OF DABIGATRAN ETEXILATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2013-08-29 WO claimed
WO-2012077136-A2 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2012-06-14 WO claimed
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP disclosed
WO-2015132794-A1 IMPROVED PROCESSES FOR THE PREPARATION OF DABIGATRAN ETEXILATE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2015-09-11 WO disclosed
WO-2015128875-A2 A PROCESS FOR PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-09-03 WO disclosed
EP-2872500-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND ITS INTERMEDIATES THEREOF Rao, Davuluri Ramamohan (IN) 2015-05-20 EP 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-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 WO disclosed
EP-2707364-A1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2014-03-19 EP disclosed
WO-2014020555-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2014-02-06 WO disclosed
WO-2014009966-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND ITS INTERMEDIATES THEREOF RAO DAVULURI RAMAMOHAN (IN) 2014-01-16 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-2012153158-A1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2012-11-15 WO disclosed
WO-2012077136-A2 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN LABORATORIES LIMITED (IN) 2012-06-14 WO disclosed