SCHEMBL9596167

SCHEMBL9596167

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
ACACB O00763 3/20 0.49
EPHX2 P34913 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ABHD6 Q9BV23 2/20 0.47
MGLL Q99685 1/20 0.47
TACR1 P25103 1/20 0.45
SCN9A Q15858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.43
BTK Q06187 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9597398 0.91 ALDH1A1 (0.50) NPSR1ACACBEPHX2SLC6A2SLC6A4
SCHEMBL10918290 0.89 EPHX2 (0.50) ACACBEPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL9597275 0.89 NAMPT (0.47) ACACBEPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL9678580 0.88 EPHX2 (0.47) NPSR1ACACBEPHX2SLC6A2SLC6A4
SCHEMBL9596660 0.88 ACACB (0.48) NPSR1ACACBEPHX2SLC6A2SLC6A4
Fluzinamide SCHEMBL636118 0.87 EPHX2 (0.52) ACACBEPHX2SLC6A2SLC6A4SLC6A3
Fluzinamide SCHEMBL30306317 0.87 EPHX2 (0.52) ACACBEPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL6584876 0.87 KDM4E (0.49) NPSR1ACACBEPHX2SLC6A2SLC6A4
SCHEMBL9596333 0.87 EPHX2 (0.48) NPSR1ACACBEPHX2SLC6A2SLC6A4
SCHEMBL9596642 0.86 EPHX2 (0.50) ACACBEPHX2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 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
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
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 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