SCHEMBL1732160

SCHEMBL1732160

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

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.60
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL5490619 0.99 F2R (0.62) F2RCYP3A4
Bromide SCHEMBL1729579 0.94 F2R (0.60) F2R
Bromide SCHEMBL5484785 0.88 F2R (0.60) F2R
Hydrochloric Acid SCHEMBL1731475 0.88 F2R (0.65) F2R
SCHEMBL28740924 0.88 F2R (0.70) F2R
Bromide SCHEMBL1728973 0.87 F2R (0.71) F2R
Trifluoroacetic Acid SCHEMBL1732587 0.86 F2R (0.58) F2R
Bromide SCHEMBL1731776 0.85 F2R (0.63) F2R
Bromide SCHEMBL1732066 0.85 F2R (0.52) F2RCYP3A4
SCHEMBL14449044 0.85 F2R (0.71) 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