SCHEMBL3130895

SCHEMBL3130895

C#Cc1ccc(NC(=O)N[C@H](CO)C(=O)Nc2ccc(N3CCOCC3=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.65
PTGS2 P35354 1/20 0.43
MTOR P42345 3/20 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
SCHEMBL3130918 1.00 F10 (0.65) F10PTGS2MTOR
SCHEMBL3126191 0.90 F10 (0.79) F10PTGS2MTOR
SCHEMBL3137853 0.90 F10 (0.65) F10PTGS2MTOR
SCHEMBL3126166 0.90 F10 (0.79) F10PTGS2MTOR
SCHEMBL3132838 0.90 F10 (0.65) F10PTGS2MTOR
SCHEMBL3132856 0.90 F10 (0.65) F10PTGS2MTOR
SCHEMBL3137875 0.90 F10 (0.65) F10PTGS2MTOR
SCHEMBL3138466 0.87 F10 (0.64) F10
SCHEMBL3138445 0.87 F10 (0.64) F10
SCHEMBL14078400 0.86 F10 (0.60) F10PTGS2MTOR

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-1597244-B1 ETHYNYL DERIVATIVES SERVING AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2010-07-07 EP claimed
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US claimed