SCHEMBL5491018

SCHEMBL5491018

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 16/20 0.45
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 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
SCHEMBL1731094 0.93 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1730830 0.93 F2R (0.43) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731163 0.90 F2R (0.51) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1732033 0.89 F2R (0.39) F2RKDM4ENPC1MAPTRAB9A
Trifluoroacetic Acid SCHEMBL5491013 0.88 F2R (0.42) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731149 0.88 F2R (0.48) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731595 0.87 F2R (0.42) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1729507 0.87 F2R (0.42) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL1731056 0.86 F2R (0.61) F2R
SCHEMBL1729261 0.85 F2R (0.49) 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 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