SCHEMBL5490772

SCHEMBL5490772

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(OCC(=O)OC(=O)C(F)(F)F)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.47
LMNA P02545 1/20 0.33
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
SCHEMBL1730984 0.94 F2R (0.44) F2RLMNAKDM4ENPC1MAPT
SCHEMBL1728800 0.91 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449120 0.91 F2R (0.53) F2RLMNAKDM4ENPC1MAPT
Trifluoroacetic Acid SCHEMBL5490764 0.90 F2R (0.52) F2RLMNAKDM4ENPC1MAPT
Bromide SCHEMBL1728702 0.90 F2R (0.54) F2RLMNAKDM4ENPC1MAPT
SCHEMBL1730594 0.90 F2R (0.46) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1729334 0.90 F2R (0.47) F2RLMNAKDM4ENPC1MAPT
SCHEMBL1729559 0.89 F2R (0.40) F2R
SCHEMBL12151783 0.88 F2R (0.51) F2RLMNAKDM4ENPC1MAPT
SCHEMBL1729398 0.88 F2R (0.48) F2R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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