SCHEMBL1731645

SCHEMBL1731645

Cc1nc2c(cc1CO)CN(CC(=O)c1cc(N3CCCC3)c(OCCCC(=O)O)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.43
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 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
Trifluoroacetic Acid SCHEMBL5484944 0.97 F2R (0.43) F2RRARARARBRARG
SCHEMBL5484953 0.90 F2R (0.42) F2R
SCHEMBL5484949 0.90 F2R (0.42) F2R
Bromide SCHEMBL1731407 0.86 F2R (0.43) F2RRARARARBRARG
Bromide SCHEMBL1732221 0.86 F2R (0.44) F2RRARARARBRARG
Bromide SCHEMBL1729732 0.85 F2R (0.45) F2RRARARARBRARG
Bromide SCHEMBL1732158 0.83 F2R (0.44) F2RRARARARBRARG
Bromide SCHEMBL1731916 0.83 F2R (0.45) F2RRARARARBRARG
Bromide SCHEMBL1732012 0.83 F2R (0.44) F2RRARARARBRARG
Bromide SCHEMBL1732553 0.83 F2R (0.44) 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