SCHEMBL9596274

SCHEMBL9596274

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
ACACB O00763 3/20 0.44
ABHD6 Q9BV23 2/20 0.44
MGLL Q99685 1/20 0.44
SCN9A Q15858 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FFAR1 O14842 1/20 0.41
BTK Q06187 1/20 0.41
GRIN2B Q13224 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
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
SCHEMBL9596568 0.88 EPHX2 (0.46) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL9596581 0.88 EPHX2 (0.46) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL9596592 0.87 EPHX2 (0.47) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL9596132 0.87 KCNH2 (0.45) EPHX2ACACBSCN9A
SCHEMBL9596167 0.86 NPSR1 (0.52) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL10918290 0.85 EPHX2 (0.50) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL9596333 0.84 EPHX2 (0.48) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL9597398 0.84 ALDH1A1 (0.50) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL9678580 0.83 EPHX2 (0.47) EPHX2ACACBABHD6MGLLSCN9A
SCHEMBL9596660 0.83 ACACB (0.48) EPHX2ACACBABHD6MGLLSCN9A

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