SCHEMBL1729685

SCHEMBL1729685

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CC(O)C(O)C3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 18/20 0.82
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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 SCHEMBL1731780 0.99 F2R (0.81) F2RMAPTLMNANPSR1KDM4E
Bromide SCHEMBL1732489 0.99 F2R (0.84) F2RMAPTLMNANPSR1KDM4E
Trifluoroacetic Acid SCHEMBL5487064 0.96 F2R (0.77) F2R
Trifluoroacetic Acid SCHEMBL5483149 0.96 F2R (0.77) F2R
SCHEMBL3980225 0.95 F2R (0.77) F2R
Bromide SCHEMBL1730689 0.94 F2R (0.79) F2R
SCHEMBL1730350 0.94 F2R (0.76) F2R
SCHEMBL14449199 0.93 F2R (0.79) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL1730775 0.93 F2R (0.80) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL5488484 0.93 F2R (0.80) F2RMAPTKDM4ENPC1RAB9A

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