SCHEMBL9989475

SCHEMBL9989475

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCN(CC(=O)OC(C)(C)C)CC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.85
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
Bromide SCHEMBL2570630 0.99 F2R (0.84) F2RALDH1A1GAA
SCHEMBL13038490 0.94 F2R (0.85) F2RALDH1A1GAA
SCHEMBL1730720 0.93 F2R (0.99) F2RALDH1A1GAA
SCHEMBL13628887 0.93 F2R (0.88) F2RALDH1A1GAA
Hydrochloric Acid SCHEMBL1728724 0.92 F2R (1.00) F2RALDH1A1GAA
SCHEMBL13950221 0.91 F2R (0.85) F2R
SCHEMBL14449152 0.91 F2R (0.87) F2RGAA
SCHEMBL3979688 0.90 F2R (0.99) F2RALDH1A1GAA
SCHEMBL13637742 0.90 F2R (0.83) F2RALDH1A1GAA
Bromide SCHEMBL1730235 0.90 F2R (0.87) F2RGAA

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-1614680-B1 Process for preparing 2-iminopyrrolidine derivatives EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed