SCHEMBL6544351

SCHEMBL6544351

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1ccc3c(c1)N(C)CC(C(=O)OC(C)(C)C)O3)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.49
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.34
RORC P51449 6/20 0.33
CPT1A P50416 3/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CPT1B Q92523 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL6544753 0.89 F2R (0.57) F2RMAPTKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL6545022 0.89 F2R (0.56) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL1731603 0.80 F2R (0.59) F2RCPT1A
Bromide SCHEMBL5488808 0.79 F2R (0.59) F2RCPT1A
Trifluoroacetic Acid SCHEMBL6544998 0.79 F2R (0.45) F2RMAPTKDM4ENPC1RAB9A
SCHEMBL1732776 0.78 F2R (0.51) F2RMAPTKDM4ENPC1RAB9A
Bromide SCHEMBL5483274 0.77 F2R (0.52) F2RMAPTKDM4ENPC1RAB9A
Trifluoroacetic Acid SCHEMBL1729235 0.77 F2R (0.53) F2R
Bromide SCHEMBL6544820 0.75 KDM4E (0.34) F2RMAPTKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL5483140 0.75 F2R (0.56) F2RRORCALDH1A1

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