SCHEMBL23049449

SCHEMBL23049449

COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/CC(N)c1nc-2c(F)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.60
KLK1 P06870 1/20 0.46

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 0.90 F11 (0.69) F11KLK1
SCHEMBL613200 0.90 F11 (0.69) F11KLK1
SCHEMBL18059791 0.90 F11 (0.69) F11KLK1
SCHEMBL15771732 0.88 F11 (0.61) F11
SCHEMBL15771729 0.88 F11 (0.61) F11
SCHEMBL614076 0.86 F11 (0.56) F11KLK1
SCHEMBL614075 0.86 F11 (0.56) F11KLK1
SCHEMBL22294622 0.85 F11 (0.55) F11KLK1
SCHEMBL22294449 0.83 F11 (0.51) F11
SCHEMBL23049484 0.83 F11 (0.51) F11

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-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed