SCHEMBL3455508

SCHEMBL3455508

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(C(N)=O)cc(S(F)(F)(F)(F)F)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.55
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
BPTF Q12830 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
STING1 Q86WV6 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
SCHEMBL1193870 0.90 F2R (0.56) F2RTSHRKDM4EMAPTRAB9A
SCHEMBL1193970 0.90 F2R (0.56) F2RTSHRLMNAHTTKDM4E
SCHEMBL1193916 0.90 F2R (0.56) F2RTSHRLMNAKDM4EMAPT
SCHEMBL1194979 0.90 F2R (0.59) F2RLMNAHTTKDM4EMAPT
SCHEMBL12878354 0.88 F2R (0.54) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1194387 0.86 F2R (0.56) F2RTSHRKMT2AKDM4EMAPT
SCHEMBL1194037 0.86 F2R (0.52) F2RLMNAKDM4EMAPTRAB9A
SCHEMBL12878401 0.86 F2R (0.52) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL1193965 0.86 F2R (0.54) F2RMEN1KMT2AKDM4EMAPT
SCHEMBL1194059 0.86 F2R (0.52) F2RTSHRKDM4EMAPTRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242740-B1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2012-12-12 EP claimed
EP-2242740-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-27 EP claimed
WO-2009097972-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 WO claimed
EP-2242740-B1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2012-12-12 EP disclosed
EP-2242740-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-27 EP disclosed
WO-2009097972-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed