SCHEMBL1730944

SCHEMBL1730944

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCN(C(C)=O)CC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 16/20 0.82
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32

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 SCHEMBL1730893 0.99 F2R (0.83) F2RKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL12151694 0.93 F2R (0.81) F2RSMN1; SMN2MAPTKMT2ATSHR
Bromide SCHEMBL1729586 0.93 F2R (0.82) F2RSMN1; SMN2MAPTKMT2ATSHR
SCHEMBL1731119 0.93 F2R (0.80) F2RKMT2A
SCHEMBL13950221 0.93 F2R (0.85) F2RKDM4EMAPT
SCHEMBL14449152 0.93 F2R (0.87) F2RSMN1; SMN2MAPT
SCHEMBL14449063 0.92 F2R (0.79) F2RKMT2A
Bromide SCHEMBL1728939 0.92 F2R (0.81) F2RKMT2A
SCHEMBL13628887 0.92 F2R (0.88) F2RALDH1A1
SCHEMBL13144389 0.92 F2R (0.86) F2RSMN1; SMN2MAPT

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 3 patents. 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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
EP-1614680-A2 Process for preparing 2-iminopyrrolidine derivatives Eisai Co., Ltd. (JP) 2006-01-11 EP disclosed