SCHEMBL1732099

SCHEMBL1732099

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.68
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 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 SCHEMBL1731103 0.99 F2R (0.69) F2RCYP3A4KDM4ENPC1MAPT
Hydrochloric Acid SCHEMBL1730394 0.99 F2R (0.69) F2RCYP3A4KDM4ENPC1MAPT
Bromide SCHEMBL1732203 0.95 F2R (0.67) F2RCYP3A4KDM4ENPC1MAPT
Hydrochloric Acid SCHEMBL1730054 0.95 F2R (0.67) F2RCYP3A4
Bromide SCHEMBL1729471 0.93 F2R (0.68) F2RCYP3A4KDM4ENPC1MAPT
Bromide SCHEMBL1731542 0.92 F2R (0.71) F2RCYP3A4KDM4ENPC1MAPT
SCHEMBL1733277 0.92 F2R (0.68) F2RCYP3A4
SCHEMBL1728941 0.91 F2R (0.73) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5487745 0.91 F2R (0.69) F2RCYP3A4KDM4ENPC1MAPT
Hydrochloric Acid SCHEMBL1731742 0.91 F2R (0.72) F2RCYP3A4KDM4ENPC1MAPT

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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed