SCHEMBL1732776

SCHEMBL1732776

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cccc(C(C)(C)C)c1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.51
ACHE P22303 3/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2B P18089 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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 SCHEMBL5483274 0.99 F2R (0.52) F2RACHEMAPTKDM4ERAB9A
Bromide SCHEMBL1732738 0.86 F2R (0.60) F2RACHEMAPTKDM4ERAB9A
Bromide SCHEMBL1732082 0.84 F2R (0.52) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL6544923 0.84 F2R (0.51) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL1730455 0.83 F2R (0.61) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1730552 0.82 F2R (0.61) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1732047 0.82 F2R (0.50) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL5488062 0.81 F2R (0.55) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729970 0.81 F2R (0.49) F2RMAPTKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL1729446 0.80 F2R (0.58) 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-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed