SCHEMBL4206705

SCHEMBL4206705

CC(C)(C)OC(=O)ON1CCCC1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5605029 0.87 F10 (0.52) F10MAPT
SCHEMBL4213115 0.86 F10 (0.59) F10MAPT
SCHEMBL75813 0.85 NPC1 (0.63) F10NPC1MEN1KMT2A
SCHEMBL8269738 0.85 NPC1 (0.63) F10NPC1MEN1KMT2A
SCHEMBL4203759 0.84 F10 (0.53) F10MAPT
SCHEMBL4205531 0.83 F10 (0.47) F10MAPT
SCHEMBL4202123 0.81 F10 (0.50) F10MAPT
SCHEMBL4209706 0.79 NPC1 (0.53) NPC1MEN1KMT2A
SCHEMBL85602 0.78 F10 (0.55) F10
SCHEMBL5605023 0.78 F10 (0.57) F10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed