SCHEMBL6030137

SCHEMBL6030137

NC(C(=O)O)(C(=O)CCNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.68
ABCB11 O95342 1/20 0.59
F2 P00734 1/20 0.59
ST14 Q9Y5Y6 1/20 0.59
PTGS2 P35354 1/20 0.54
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4030183 0.81 F10 (1.00) F10ABCB11F2ST14PTGS2
SCHEMBL6030128 0.79 F10 (0.72) F10ABCB11F2ST14PTGS2
SCHEMBL5627216 0.79 F10 (0.67) F10ABCB11F2ST14PTGS2
SCHEMBL20802158 0.76 F10 (0.83) F10ABCB11F2ST14CYP3A4
SCHEMBL4028227 0.75 F10 (0.82) F10ABCB11F2ST14PTGS2
SCHEMBL5627735 0.75 F10 (0.64) F10ABCB11F2ST14PTGS2
SCHEMBL6031260 0.75 F10 (0.64) F10ABCB11F2ST14PTGS2
Rivaroxaban SCHEMBL3914 0.74 F10 (1.00) F10ABCB11F2ST14CYP3A4
Rivaroxaban SCHEMBL7721848 0.74 F10 (1.00) F10ABCB11F2ST14CYP3A4
SCHEMBL13977416 0.74 F10 (0.74) F10ABCB11F2ST14CYP3A4

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
EP-1723164-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-22 EP disclosed
WO-2005095440-A1 BETA-AMINOACID-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-10-13 WO disclosed