SCHEMBL1731741

SCHEMBL1731741

CCOc1cc2c(cc1OCC)C(=N)N(CC(=O)c1ccc(OCC(N)=O)c(C(C)(C)C)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.43
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HPGD P15428 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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 SCHEMBL5486012 0.99 F2R (0.44) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1731618 0.92 F2R (0.42) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1731558 0.91 F2R (0.45) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729272 0.90 F2R (0.40) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729476 0.84 F2R (0.62) F2RMAPTKDM4ERAB9ANPC1
Trifluoroacetic Acid SCHEMBL1730750 0.84 F2R (0.43) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL1730753 0.83 F2R (0.39) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1731002 0.82 F2R (0.50) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL5490703 0.82 F2R (0.43) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1729553 0.82 F2R (0.39) 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