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Dabigatran Ethyl Ester

Dabigatran Ethyl Ester

SCHEMBL29943705

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 1.00
▸ F2 P00734 19/20 0.83
▸ SLC22A2 O15244 1/20 0.83
▸ F10 P00742 1/20 0.83
▸ PLG P00747 1/20 0.83
▸ PLAT P00750 1/20 0.83
▸ PROC P04070 1/20 0.83
▸ HPN P05981 1/20 0.83
▸ PRSS1 P07477 1/20 0.83
▸ PRSS2 P07478 1/20 0.83
▸ PRSS3 P35030 1/20 0.83
▸ SLC47A2 Q86VL8 1/20 0.83
▸ SLC47A1 Q96FL8 1/20 0.83
▸ NR1I2 O75469 1/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ SLC6A2 P23975 1/20 0.75
▸ AGTR1 P30556 1/20 0.75
▸ SLC6A3 Q01959 1/20 0.75
▸ SCN5A Q14524 1/20 0.75

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
Dabigatran Ethyl Ester SCHEMBL3027080 1.00 NQO2 (1.00) NQO2F2SLC22A2F10PLG
Dabigatran Ethyl Ester SCHEMBL724895 0.99 NQO2 (0.99) NQO2F2SLC22A2F10PLG
Dabigatran Ethyl Ester SCHEMBL29943506 0.99 NQO2 (0.99) NQO2F2SLC22A2F10PLG
Dabigatran Ethyl Ester SCHEMBL16912888 0.99 NQO2 (0.97) NQO2F2SLC22A2F10PLG
Dabigatran Ethyl Ester SCHEMBL9901841 0.98 NQO2 (0.96) NQO2F2SLC22A2F10PLG
Dabigatran Ethyl Ester SCHEMBL16583204 0.97 NQO2 (0.94) NQO2F2SLC22A2F10PLG
SCHEMBL14696907 0.95 NQO2 (0.90) NQO2F2SLC22A2F10PLG
SCHEMBL10048254 0.94 NQO2 (0.89) NQO2F2SLC22A2F10PLG
SCHEMBL4757949 0.94 NQO2 (0.89) NQO2F2SLC22A2F10PLG
SCHEMBL4757955 0.93 NQO2 (0.87) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043150-A New crystal form of dabigatran etexilate ethyl ester hydrochloride as well as preparation method and application thereof 天津睿创康泰生物技术有限公司 2023-11-10 — — CN disclosed
WO-2022198361-A1 NOVEL CRYSTAL FORM OF DABIGATRAN ETEXILATE ETHYL ESTER HYDROCHLORIDE, PREPARATION METHOD THEREFOR AND USE THEREOF 天津睿创康泰生物技术有限公司 2022-09-29 — — WO disclosed