SCHEMBL9450847

SCHEMBL9450847

CNC(=O)N1CC(Oc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.50
SCN9A Q15858 2/20 0.47
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46
RORC P51449 1/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4B Q07343 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL9450773 0.87 OXTR (0.53) RBP4SCN9ARORCPDE4BRAB9A
SCHEMBL9354289 0.84 SCN9A (0.51) RBP4SCN9ARORCPDE4BALDH1A1
SCHEMBL9450869 0.83 EPHX2 (0.48) RBP4SCN9AEPHX2
SCHEMBL9450748 0.83 RBP4 (0.51) RBP4SCN9AHRH1CCR3RORC
SCHEMBL9450896 0.82 RBP4 (0.50) RBP4HRH1CCR3RORCTSHR
SCHEMBL9733010 0.81 RBP4 (0.50) RBP4HRH1CCR3RORCTSHR
SCHEMBL9450755 0.80 EPHX2 (0.45) SCN9AHRH1CCR3RAB9AMEN1
SCHEMBL9450842 0.80 EPHX2 (0.50) SCN9AEPHX2
SCHEMBL2299437 0.79 RBP4 (0.54) RBP4PDE4BMEN1ALDH1A1KMT2A
SCHEMBL9450769 0.77 SLC6A2 (0.48) SCN9AHRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560905-A1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY. ROBINS CO INC A H (US) 1993-09-22 EP disclosed
WO-1992010474-A1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1992-06-25 WO disclosed
US-5095014-A 3-(2-chloro-4-(trifluoromethyl)phenoxy)-1-azetidine carboxamides having anticonvulsant activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-03-10 US disclosed