SCHEMBL1729167

SCHEMBL1729167

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cccc(C(C)(C)C(=O)OC)c1)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.56
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ACHE P22303 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 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
Bromide SCHEMBL5484965 0.99 F2R (0.57) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL28740926 0.92 F2R (0.56) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1731325 0.91 F2R (0.56) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1732738 0.90 F2R (0.60) F2RMAPTKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL1730995 0.84 F2R (0.53) F2RMAPTKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL1730997 0.84 F2R (0.53) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL27507748 0.83 F2R (0.51) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729501 0.83 F2R (0.52) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729500 0.83 F2R (0.52) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL6544914 0.82 F2R (0.54) F2RMAPTKDM4ERAB9ANPC1

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