SCHEMBL14449124

SCHEMBL14449124

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cc(OCC#N)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.63
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
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 SCHEMBL1730509 0.99 F2R (0.64) F2RALDH1A1GAAKDM4ENPC1
Bromide SCHEMBL1732029 0.93 F2R (0.69) F2RALDH1A1GAAKDM4ENPC1
SCHEMBL14449144 0.93 F2R (0.73) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730758 0.92 F2R (0.74) F2RKDM4ENPC1MAPTRAB9A
SCHEMBL14449125 0.91 F2R (0.61) F2RALDH1A1GAAKDM4ENPC1
SCHEMBL14449141 0.91 F2R (0.72) F2RALDH1A1GAAMAPT
Bromide SCHEMBL1728705 0.90 F2R (0.62) F2RALDH1A1GAAKDM4ENPC1
Bromide SCHEMBL1731284 0.90 F2R (0.58) F2RALDH1A1KDM4ENPC1MAPT
Bromide SCHEMBL1729239 0.90 F2R (0.73) F2RALDH1A1GAAKDM4ENPC1
SCHEMBL14469001 0.89 F2R (0.51) F2RALDH1A1GAA

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