SCHEMBL2230035

SCHEMBL2230035

COc1ccc(C(=O)Nc2c(O)cccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
KLKB1 P03952 1/20 1.00

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
Darexaban SCHEMBL2227024 1.00 F10 (1.00) F10KLKB1
Darexaban SCHEMBL5406349 0.95 F10 (0.90) F10KLKB1
SCHEMBL9979807 0.90 F10 (1.00) F10KLKB1
SCHEMBL9940055 0.90 F10 (0.82) F10KLKB1
SCHEMBL9979802 0.90 F10 (0.81) F10KLKB1
SCHEMBL5410384 0.89 F10 (0.81) F10KLKB1
Hydrochloric Acid SCHEMBL5393248 0.89 F10 (0.98) F10KLKB1
SCHEMBL9979811 0.89 F10 (1.00) F10KLKB1
SCHEMBL9979766 0.89 F10 (1.00) F10KLKB1
SCHEMBL9979758 0.89 F10 (1.00) F10KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US claimed
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
EP-2343076-A1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Astellas Pharma Inc. (JP) 2011-07-13 EP disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed