SCHEMBL1729487

SCHEMBL1729487

CCOC(=O)C1(c2cccc(C(=O)CN3Cc4cc(OCC)c(OCC)c(F)c4C3=N)c2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.51
OPRM1 P35372 5/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35

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 SCHEMBL5483132 0.99 F2R (0.51) F2ROPRM1OPRD1OPRK1SLC22A1
SCHEMBL27506514 0.92 F2R (0.50) F2RKDM4ETSHRALDH1A1GAA
Hydrochloric Acid SCHEMBL1729405 0.91 F2R (0.51) F2RKDM4ETSHRALDH1A1GAA
SCHEMBL6544914 0.80 F2R (0.54) F2RKDM4ELMNATSHRALDH1A1
Bromide SCHEMBL1732738 0.80 F2R (0.60) F2RKDM4EALDH1A1GAAMAPT
Bromide SCHEMBL1729181 0.79 KDM4E (0.37) F2ROPRM1OPRD1OPRK1SLC22A1
SCHEMBL28740926 0.78 F2R (0.56) F2RKDM4ETSHRALDH1A1GAA
Bromide SCHEMBL1731325 0.78 F2R (0.56) F2RKDM4ETSHRALDH1A1GAA
SCHEMBL27507748 0.77 F2R (0.51) F2RKDM4EALDH1A1GAAMAPT
SCHEMBL1729167 0.77 F2R (0.56) F2RKDM4ELMNAALDH1A1GAA

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