SCHEMBL22294628

SCHEMBL22294628

N[C@H]1C/C=C/CCC(=O)Nc2cc(NC(=O)OCC(=O)O)ccc2-c2nc1[nH]c2Cl

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.57

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
SCHEMBL616571 0.91 F11 (0.61) F11
SCHEMBL616570 0.91 F11 (0.61) F11
SCHEMBL22294633 0.91 F11 (0.60) F11
SCHEMBL18059791 0.90 F11 (0.69) F11
SCHEMBL613199 0.90 F11 (0.69) F11
SCHEMBL613200 0.90 F11 (0.69) F11
SCHEMBL22294612 0.89 F11 (0.62) F11
SCHEMBL22294385 0.88 F11 (0.72) F11
SCHEMBL22294376 0.87 F11 (0.53) F11
SCHEMBL22294524 0.87 F11 (0.58) 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 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