SCHEMBL6544923

SCHEMBL6544923

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cc[c]c(C(C)(C)C)c1)C2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.51
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6544807 0.88 F2R (0.59) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL1732837 0.84 F2R (0.58) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL1732776 0.84 F2R (0.51) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL5483274 0.83 F2R (0.52) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL1730455 0.81 F2R (0.61) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1730552 0.81 F2R (0.61) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL5488062 0.80 F2R (0.55) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1731125 0.79 F2R (0.54) F2RMAPTKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL1729446 0.79 F2R (0.58) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729999 0.79 F2R (0.54) F2RMAPTKDM4ERAB9ANPC1

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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed