SCHEMBL1731735

SCHEMBL1731735

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCC(OC(=O)C(F)(F)F)C3)c(OCC(=O)O)c(C(C)(C)C)c1)C2

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.66

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
SCHEMBL1728713 0.93 F2R (0.77) F2R
Bromide SCHEMBL1730133 0.92 F2R (0.71) F2R
Bromide SCHEMBL1730459 0.92 F2R (0.73) F2R
SCHEMBL1731068 0.91 F2R (0.66) F2R
Bromide SCHEMBL1731990 0.89 F2R (0.79) F2R
Trifluoroacetic Acid SCHEMBL1731390 0.87 F2R (0.72) F2R
Trifluoroacetic Acid SCHEMBL1731065 0.87 F2R (0.63) F2R
Trifluoroacetic Acid SCHEMBL5490717 0.86 F2R (0.71) F2R
SCHEMBL1731737 0.86 F2R (0.72) F2R
Bromide SCHEMBL6362254 0.86 F2R (0.75) F2R

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-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed