SCHEMBL9450842

SCHEMBL9450842

CNC(=O)N1CC(Oc2cccc(Cl)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
SCN9A Q15858 3/20 0.49
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GRIN2B Q13224 1/20 0.43
KCNH2 Q12809 3/20 0.43
HTR2C P28335 1/20 0.43
OGG1 O15527 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2J2 P51589 1/20 0.41
HRH3 Q9Y5N1 2/20 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
SCHEMBL9596885 0.86 EPHX2 (0.50) EPHX2SCN9ASLC6A4SLC6A2SLC6A3
SCHEMBL9596242 0.86 EPHX2 (0.50) EPHX2SCN9ASLC6A4SLC6A2SLC6A3
SCHEMBL9596417 0.85 SCN9A (0.48) SCN9ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL9596728 0.85 SLC6A2 (0.45) SCN9ASLC6A4SLC6A2SLC6A3
SCHEMBL9450767 0.84 EPHX2 (0.53) EPHX2SCN9ASLC6A4SLC6A2SLC6A3
SCHEMBL9450755 0.84 EPHX2 (0.45) EPHX2SCN9A
SCHEMBL9596043 0.84 USP30 (0.54) EPHX2
SCHEMBL9450769 0.83 SLC6A2 (0.48) SCN9ASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL6586914 0.83 EPHX2 (0.44) EPHX2SCN9ASLC6A4SLC6A2SLC6A3
SCHEMBL6586909 0.83 EPHX2 (0.44) EPHX2SCN9ASLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US claimed
EP-0194112-B1 3-ARYL-OXYAZETIDINECARBOXAMIDES HAVING ANTI-MUSCLE TENSION, ANTI-MUSCLE SPASTICITY, ANTICONVULSANT AND ANTIEPILECTIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-05-23 EP claimed
EP-0194112-A1 3-Aryl-oxyazetidinecarboxamides having anti-muscle tension, anti-muscle spasticity, anticonvulsant and antiepilectic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1986-09-10 EP claimed
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
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
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
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
EP-0194112-A1 3-Aryl-oxyazetidinecarboxamides having anti-muscle tension, anti-muscle spasticity, anticonvulsant and antiepilectic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1986-09-10 EP disclosed