SCHEMBL1729520

SCHEMBL1729520

COc1c(OC(C)C)cc2c(c1F)C(=N)N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.57
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 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 SCHEMBL5482743 0.99 F2R (0.57) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1731141 0.92 F2R (0.58) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1730455 0.92 F2R (0.61) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1728977 0.91 F2R (0.59) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730552 0.91 F2R (0.61) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449044 0.89 F2R (0.71) F2R
Bromide SCHEMBL1730448 0.88 F2R (0.71) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449156 0.87 F2R (0.71) F2RKDM4ERAB9A
Hydrochloric Acid SCHEMBL1729249 0.86 F2R (0.63) F2R
Bromide SCHEMBL1728717 0.86 F2R (0.71) 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 2 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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed