SCHEMBL1733277

SCHEMBL1733277

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

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.68
CYP3A4 P08684 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 SCHEMBL5487745 0.99 F2R (0.69) F2RCYP3A4
SCHEMBL14449057 0.93 F2R (0.70) F2RCYP3A4
Bromide SCHEMBL1730458 0.93 F2R (0.72) F2RCYP3A4
SCHEMBL1732099 0.92 F2R (0.68) F2RCYP3A4
Hydrochloric Acid SCHEMBL1730394 0.91 F2R (0.69) F2RCYP3A4
Bromide SCHEMBL1731103 0.91 F2R (0.69) F2RCYP3A4
Bromide SCHEMBL1729471 0.91 F2R (0.68) F2RCYP3A4
Bromide SCHEMBL1731542 0.90 F2R (0.71) F2RCYP3A4
Hydrochloric Acid SCHEMBL1730054 0.90 F2R (0.67) F2RCYP3A4
Bromide SCHEMBL1732203 0.90 F2R (0.67) F2RCYP3A4

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