SCHEMBL1728787

SCHEMBL1728787

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

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 18/20 0.74
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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 SCHEMBL1729207 0.99 F2R (0.74) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1731035 0.93 F2R (0.78) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1729136 0.92 F2R (0.79) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5484851 0.91 F2R (0.76) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730441 0.90 F2R (0.75) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14468965 0.89 F2R (0.60) F2R
SCHEMBL1728941 0.89 F2R (0.73) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449141 0.89 F2R (0.72) F2RMAPT
Bromide SCHEMBL1731061 0.89 F2R (0.73) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731378 0.89 F2R (0.73) 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
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed