SCHEMBL1730455

SCHEMBL1730455

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.61
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL1730552 0.99 F2R (0.61) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449044 0.93 F2R (0.71) F2R
SCHEMBL1729520 0.92 F2R (0.57) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730903 0.92 F2R (0.69) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730448 0.92 F2R (0.71) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731495 0.91 F2R (0.56) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5482743 0.91 F2R (0.57) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1729249 0.90 F2R (0.63) F2R
Bromide SCHEMBL1731657 0.88 F2R (0.55) F2R
SCHEMBL14449113 0.88 F2R (0.61) 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