SCHEMBL1668765

SCHEMBL1668765

CS(=O)(=O)N1CCC(c2cc(F)c(OC3CN(CCCc4ccc(C(F)(F)F)cc4)C3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
EPHX2 P34913 1/20 0.37
CNR1 P21554 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
IDO1 P14902 1/20 0.35
KCNH2 Q12809 3/20 0.35
KCNA5 P22460 1/20 0.35
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
GPR119 Q8TDV5 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MCHR1 Q99705 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL1668617 0.95 KDM4E (0.41) KDM4EALDH1A1LMNAKMT2ARORC
SCHEMBL1668410 0.90 KDM4E (0.49) KDM4EALDH1A1LMNAKMT2ARORC
SCHEMBL12198265 0.88 KDM4E (0.41) KDM4EALDH1A1LMNAKMT2ARORC
SCHEMBL1668262 0.86 KDM4E (0.48) KDM4EALDH1A1LMNAKMT2ARORC
SCHEMBL12198321 0.84 KDM4E (0.52) KDM4EALDH1A1LMNAKMT2ARORC
SCHEMBL1668516 0.83 LMNA (0.38) KDM4EALDH1A1LMNAKMT2ARORC
SCHEMBL1668787 0.81 KDM4E (0.51) KDM4EALDH1A1LMNAKMT2ARORC
SCHEMBL1671394 0.80 EPHX2 (0.46) KDM4EALDH1A1LMNAEPHX2CNR1
SCHEMBL2511739 0.80 LMNA (0.40) KDM4ELMNAKMT2ARORCEPHX2
SCHEMBL1668633 0.80 LMNA (0.38) KDM4EALDH1A1LMNAKMT2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO disclosed