SCHEMBL9595992

SCHEMBL9595992

O=C(Cl)N1CC(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ABHD6 Q9BV23 2/20 0.53
MGLL Q99685 1/20 0.53
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACACB O00763 1/20 0.45
SCN9A Q15858 1/20 0.44
FFAR1 O14842 2/20 0.43
LIPG Q9Y5X9 1/20 0.43
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
PPARG P37231 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10607268 0.90 EPHX2 (0.59) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL10606827 0.87 EPHX2 (0.64) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL2636372 0.87 ABHD6 (0.51) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
Dezinamide SCHEMBL635558 0.86 SLC6A2 (0.54) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL2636375 0.83 ABHD6 (0.50) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
Fluzinamide SCHEMBL636118 0.83 EPHX2 (0.52) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL9596614 0.83 ABHD6 (0.50) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
Fluzinamide SCHEMBL30306317 0.83 EPHX2 (0.52) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL9596930 0.83 ABHD6 (0.50) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL9596860 0.83 ABHD6 (0.50) EPHX2SLC6A2SLC6A4SLC6A3ABHD6

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
US-5183902-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1993-02-02 US disclosed
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 US disclosed
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US disclosed
US-4956359-A CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES A. H. ROBINS COMPANY, INC. (US) 1990-09-11 US disclosed