SCHEMBL1732428

SCHEMBL1732428

CCOc1cc2c(nc1C(=O)O)C(=N)N(CC(=O)c1cc(N3CC(O)C(O)C3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 18/20 0.57
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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 SCHEMBL5484759 0.92 F2R (0.57) F2RLMNAMAPTNPSR1
SCHEMBL6544325 0.89 F2R (0.61) F2RLMNAMAPT
Bromide SCHEMBL1732831 0.87 F2R (0.54) F2R
Trifluoroacetic Acid SCHEMBL5483379 0.86 F2R (0.52) F2R
Bromide SCHEMBL1732231 0.83 F2R (0.63) F2R
Bromide SCHEMBL1730340 0.83 F2R (0.68) F2RLMNAMAPT
Bromide SCHEMBL1730048 0.83 F2R (0.59) F2RLMNAMAPT
Trifluoroacetic Acid SCHEMBL1729164 0.82 F2R (0.65) F2R
SCHEMBL1729685 0.82 F2R (0.82) F2RLMNAMAPTNPSR1
Trifluoroacetic Acid SCHEMBL5483149 0.82 F2R (0.77) 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