SCHEMBL1731663

SCHEMBL1731663

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCCC3=O)c(OCC(=O)OC(=O)C(F)(F)F)c(C(C)(C)C)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.42
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL1730061 0.91 F2R (0.46) F2RRARARARBRARG
SCHEMBL1729398 0.91 F2R (0.48) F2R
SCHEMBL1730889 0.90 F2R (0.48) F2R
Bromide SCHEMBL1731462 0.88 F2R (0.52) F2RRARARARBRARG
SCHEMBL1729578 0.88 F2R (0.56) F2R
SCHEMBL1731756 0.87 F2R (0.43) F2R
SCHEMBL1730984 0.87 F2R (0.44) F2R
SCHEMBL1728800 0.86 F2R (0.43) F2R
SCHEMBL6544931 0.86 F2R (0.43) F2RRARARARBRARG
SCHEMBL1729915 0.86 F2R (0.43) F2RRARARARBRARG

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