SCHEMBL9450786

SCHEMBL9450786

CNC(=O)N1CC(Oc2c(C)cccc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
SCD O00767 2/20 0.41
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
POLB P06746 1/20 0.37
PDE9A O76083 1/20 0.37
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRIN2B Q13224 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35

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
SCHEMBL9450761 0.85 HTR1A (0.41) SCN9ASCDHTR1ASLC6A2POLB
SCHEMBL9450885 0.84 HTR1A (0.43) SCN9ASCDHTR1ASLC6A2POLB
SCHEMBL9450889 0.82 KIF11 (0.40) HTR1ASLC6A2POLBPDE9A
SCHEMBL9450869 0.80 EPHX2 (0.48) SCN9ASCDSLC6A2
SCHEMBL9450842 0.76 EPHX2 (0.50) SCN9ASLC6A2GRIN2B
SCHEMBL9683890 0.74 ALDH1A1 (0.43) HTR1ASLC6A2MEN1KMT2A
SCHEMBL9450755 0.73 EPHX2 (0.45) SCN9AMEN1KMT2A
SCHEMBL9596242 0.73 EPHX2 (0.50) SCN9ASLC6A2KMT2A
SCHEMBL9450769 0.73 SLC6A2 (0.48) SCN9ASLC6A2
SCHEMBL9596043 0.73 USP30 (0.54) SCD

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