SCHEMBL22294599

SCHEMBL22294599

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

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.62
KLK1 P06870 14/20 0.62

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
SCHEMBL23049437 1.00 F11 (0.62) F11KLK1
SCHEMBL614075 0.90 F11 (0.56) F11KLK1
SCHEMBL614076 0.90 F11 (0.56) F11KLK1
SCHEMBL22294476 0.90 F11 (0.64) F11KLK1
SCHEMBL22294622 0.90 F11 (0.55) F11KLK1
SCHEMBL24220218 0.89 F11 (0.62) F11KLK1
SCHEMBL18822011 0.89 F11 (0.62) F11KLK1
SCHEMBL18059775 0.87 F11 (0.53) F11KLK1
SCHEMBL18822013 0.85 F11 (0.59) F11KLK1
SCHEMBL23049550 0.84 F11 (0.49) 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 2 patents. 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
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed