SCHEMBL9596333

SCHEMBL9596333

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
ABHD6 Q9BV23 2/20 0.47
MGLL Q99685 1/20 0.47
ACACB O00763 3/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SCN9A Q15858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
BTK Q06187 1/20 0.41
GRIN2B Q13224 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR1 O14842 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL10918290 0.88 EPHX2 (0.50) EPHX2ABHD6MGLLACACBSLC6A2
SCHEMBL9596167 0.87 NPSR1 (0.52) EPHX2ABHD6MGLLACACBSLC6A2
SCHEMBL9596523 0.87 KCNH2 (0.46) EPHX2ACACB
SCHEMBL9597398 0.85 ALDH1A1 (0.50) EPHX2ABHD6MGLLACACBSLC6A2
SCHEMBL9596274 0.84 EPHX2 (0.46) EPHX2ABHD6MGLLACACBSLC6A2
SCHEMBL9596660 0.84 ACACB (0.48) EPHX2ABHD6MGLLACACBSLC6A2
SCHEMBL9678580 0.84 EPHX2 (0.47) EPHX2ABHD6MGLLACACBSLC6A2
SCHEMBL9596592 0.84 EPHX2 (0.47) EPHX2ABHD6MGLLACACBSLC6A2
Fluzinamide SCHEMBL636118 0.83 EPHX2 (0.52) EPHX2ABHD6MGLLACACBSLC6A2
Fluzinamide SCHEMBL30306317 0.83 EPHX2 (0.52) EPHX2ABHD6MGLLACACBSLC6A2

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 10 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
US-4956359-A CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES A. H. ROBINS COMPANY, INC. (US) 1990-09-11 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
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-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