SCHEMBL9450896

SCHEMBL9450896

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.50
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FPR2 P25090 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RORC P51449 1/20 0.42
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
PDE4B Q07343 3/20 0.41
KDM4E B2RXH2 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
SCHEMBL9450748 0.87 RBP4 (0.51) RBP4HTTGAAHPGDTSHR
SCHEMBL9354253 0.82 MRGPRX4 (0.46) RBP4
SCHEMBL9733010 0.82 RBP4 (0.50) RBP4HTTGAAHPGDTSHR
SCHEMBL9450847 0.82 RBP4 (0.50) RBP4HTTGAAHPGDTSHR
SCHEMBL2299437 0.80 RBP4 (0.54) RBP4PDE4B
SCHEMBL6586263 0.78 SLC6A4 (0.46) HTR2CSLC6A4
SCHEMBL9596716 0.77 SLC6A4 (0.51) HTR2CSLC6A4
SCHEMBL15641024 0.76 RBP4 (0.45) RBP4HTTGAAHPGDTSHR
SCHEMBL15641025 0.76 RBP4 (0.45) RBP4HTTGAAHPGDTSHR
SCHEMBL29277465 0.76 SLC6A4 (0.43) RBP4MAPTFPR2PROKR1HTR2C

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