SCHEMBL6544433

SCHEMBL6544433

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1ccc(OC(C)=O)c(C(C)(C)C)c1)C2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.64
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE5A O76074 2/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 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
Bromide SCHEMBL1730529 0.99 F2R (0.64) F2RTHRATHRBMAPTKDM4E
Bromide SCHEMBL1729491 0.91 F2R (0.61) F2RTHRATHRBMAPTKDM4E
Bromide SCHEMBL1730629 0.91 F2R (0.61) F2RTHRATHRBMAPTKDM4E
Bromide SCHEMBL1732147 0.90 F2R (0.62) F2RMAPTKDM4ERAB9ANPC1
SCHEMBL14468847 0.90 F2R (0.52) F2RTHRATHRBMAPTKDM4E
SCHEMBL1729286 0.90 F2R (0.65) F2RMAPTKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL5482408 0.89 F2R (0.65) F2RTHRATHRBMAPTKDM4E
Bromide SCHEMBL1730193 0.89 F2R (0.66) F2RMAPTKDM4ERAB9ANPC1
Bromide SCHEMBL1731057 0.89 F2R (0.62) F2RTHRATHRBMAPTKDM4E
Bromide SCHEMBL1729476 0.89 F2R (0.62) F2RTHRATHRBMAPTKDM4E

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