SCHEMBL6776576

SCHEMBL6776576

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)c3ccc(CC)cc3)cc1)n2C)c1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.79
F2 P00734 18/20 0.66
SLC22A2 O15244 1/20 0.66
F10 P00742 1/20 0.66
PLG P00747 1/20 0.66
PLAT P00750 1/20 0.66
PROC P04070 1/20 0.66
HPN P05981 1/20 0.66
PRSS1 P07477 1/20 0.66
PRSS2 P07478 1/20 0.66
PRSS3 P35030 1/20 0.66
SLC47A2 Q86VL8 1/20 0.66
SLC47A1 Q96FL8 1/20 0.66
NR1I2 O75469 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
SLC6A2 P23975 1/20 0.65
AGTR1 P30556 1/20 0.65
SLC6A3 Q01959 1/20 0.65
SCN5A Q14524 1/20 0.65
NPC1 O15118 1/20 0.46

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
SCHEMBL6776070 0.91 NQO2 (0.84) NQO2F2SLC22A2F10PLG
SCHEMBL17050961 0.91 NQO2 (0.84) NQO2F2SLC22A2F10PLG
SCHEMBL28422890 0.91 NQO2 (0.82) NQO2F2SLC22A2F10PLG
SCHEMBL10048306 0.90 NQO2 (0.86) NQO2F2SLC22A2F10PLG
SCHEMBL28127447 0.90 NQO2 (0.81) NQO2F2SLC22A2F10PLG
SCHEMBL18541416 0.90 NQO2 (0.81) NQO2F2SLC22A2F10PLG
SCHEMBL6774512 0.89 F2 (0.73) NQO2F2SLC22A2F10PLG
SCHEMBL6778833 0.89 NQO2 (0.78) NQO2F2SLC22A2F10PLG
SCHEMBL28140934 0.89 NQO2 (0.80) NQO2F2SLC22A2F10PLG
SCHEMBL28157087 0.89 NQO2 (0.80) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710055-B2 INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2004-03-23 US disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US disclosed