SCHEMBL15413481

SCHEMBL15413481

Cn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)N(CCCCC(=O)O)c3ccccn3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.73
NQO2 P16083 2/20 0.73
SLC22A2 O15244 1/20 0.73
F10 P00742 1/20 0.73
PLG P00747 1/20 0.73
PLAT P00750 1/20 0.73
PROC P04070 1/20 0.73
HPN P05981 1/20 0.73
PRSS1 P07477 1/20 0.73
PRSS2 P07478 1/20 0.73
PRSS3 P35030 1/20 0.73
SLC47A2 Q86VL8 1/20 0.73
SLC47A1 Q96FL8 1/20 0.73
NR1I2 O75469 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
SLC6A2 P23975 1/20 0.55
AGTR1 P30556 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SCN5A Q14524 1/20 0.55

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
Oxalic Acid SCHEMBL1602438 0.99 F2 (0.71) F2NQO2SLC22A2F10PLG
Maleic Acid SCHEMBL15415352 0.96 F2 (0.69) F2NQO2SLC22A2F10PLG
Nitric Acid SCHEMBL17028813 0.96 F2 (0.68) F2NQO2SLC22A2F10PLG
SCHEMBL506573 0.95 F2 (0.80) F2NQO2SLC22A2F10PLG
Oxalic Acid SCHEMBL13740918 0.94 F2 (0.78) F2NQO2SLC22A2F10PLG
SCHEMBL20211338 0.93 F2 (0.76) F2NQO2SLC22A2F10PLG
SCHEMBL15744890 0.92 F2 (0.67) F2NQO2SLC22A2F10PLG
SCHEMBL28046855 0.90 F2 (0.91) F2NQO2SLC22A2F10PLG
SCHEMBL6779120 0.89 NQO2 (0.71) F2NQO2SLC22A2F10PLG
SCHEMBL18696932 0.89 F2 (0.70) F2NQO2SLC22A2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003384-A Synthesis method of dabigatran etexilate important intermediate 宿迁盛基医药科技有限公司 2023-04-25 CN disclosed
CN-105330645-B Preparation method of dabigatran etexilate intermediate 常州市阳光药业有限公司 2020-06-02 CN disclosed
CN-110878083-A Purification method of dabigatran etexilate intermediate 连云港恒运药业有限公司 2020-03-13 CN disclosed
CN-110878083-A Purification method of dabigatran etexilate intermediate 连云港恒运药业有限公司 2020-03-13 CN disclosed
CN-105481831-A New method for preparing dabigatran etexilate intermediate KAIFENG MINGREN PHARMACEUTICAL CO LTD 2016-04-13 CN disclosed
CN-105348262-A Improved method for preparing Dabigatran etexilate BENGBU BBCA MEDICINE SCIENCE & DEV CO LTD 2016-02-24 CN disclosed
WO-2015124764-A1 SYNTHESIS PROCESS OF DABIGATRAN ETEXILATE MESYLATE, INTERMEDIATES OF THE PROCESS AND NOVEL POLYMORPH OF DABIGATRAN ETEXILATE ERREGIERRE S.P.A. (IT) 2015-08-27 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
CN-102911160-B Method for preparing and purifying dabigatran etexilate intermediate SHANGHAI AOBO BIOMEDICINE TECHN CO., LTD. (CN) 2014-10-22 CN 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
CN-102911160-A Method for preparing and purifying dabigatran etexilate intermediate SHANGHAI AOBO BIO PHARMACEUTICAL TECH CO LTD 2013-02-06 CN disclosed