SCHEMBL18059791

SCHEMBL18059791

COC(=O)Nc1ccc2c(c1)NC(=O)CCC=CC[C@H](N)c1nc-2c(Cl)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.69
KLK1 P06870 1/20 0.50

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
SCHEMBL613199 1.00 F11 (0.69) F11KLK1
SCHEMBL613200 1.00 F11 (0.69) F11KLK1
SCHEMBL616571 0.92 F11 (0.61) F11
SCHEMBL616570 0.92 F11 (0.61) F11
SCHEMBL22294618 0.91 F11 (0.58) F11KLK1
SCHEMBL22294612 0.91 F11 (0.62) F11KLK1
SCHEMBL22294524 0.90 F11 (0.58) F11KLK1
SCHEMBL23049449 0.90 F11 (0.60) F11KLK1
SCHEMBL22294628 0.90 F11 (0.57) F11
SCHEMBL22294633 0.90 F11 (0.60) F11KLK1

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-3070087-A1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP claimed