SCHEMBL1731035

SCHEMBL1731035

CCOc1cc(C(=O)CN2Cc3cc(OCC)c(OCC)c(F)c3C2=N)cc(C(C)(C)C)c1OC

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 18/20 0.78
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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 SCHEMBL1729136 0.99 F2R (0.79) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5484851 0.97 F2R (0.76) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449141 0.96 F2R (0.72) F2RMAPTALDH1A1GAA
Bromide SCHEMBL1729239 0.95 F2R (0.73) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731835 0.94 F2R (0.73) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449156 0.94 F2R (0.71) F2RKDM4ERAB9A
SCHEMBL14449144 0.94 F2R (0.73) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1728717 0.94 F2R (0.71) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730758 0.94 F2R (0.74) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1728787 0.93 F2R (0.74) F2RKDM4ENPC1MAPTRAB9A

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