SCHEMBL9596642

SCHEMBL9596642

O=C(NCC1CC1)N1CC(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
BTK Q06187 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ABHD6 Q9BV23 2/20 0.46
MGLL Q99685 1/20 0.46
TP53 P04637 1/20 0.43
PTGIR P43119 1/20 0.43
FFAR1 O14842 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2B Q13224 1/20 0.42
ACACB O00763 2/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42

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 0.87 EPHX2 (0.50) EPHX2BTKSLC6A2SLC6A4SLC6A3
SCHEMBL9596167 0.86 NPSR1 (0.52) EPHX2BTKSLC6A2SLC6A4SLC6A3
SCHEMBL9596260 0.86 KCNH2 (0.47) EPHX2KCNH2
SCHEMBL9597398 0.84 ALDH1A1 (0.50) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL9597759 0.83 EPHX2 (0.52) EPHX2MEN1KMT2A
SCHEMBL9678580 0.83 EPHX2 (0.47) EPHX2BTKSLC6A2SLC6A4SLC6A3
SCHEMBL9596592 0.83 EPHX2 (0.47) EPHX2BTKSLC6A2SLC6A4SLC6A3
SCHEMBL9596660 0.83 ACACB (0.48) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL9595654 0.83 EPHX2 (0.58) EPHX2SLC6A2SLC6A4SLC6A3ABHD6
SCHEMBL6584876 0.83 KDM4E (0.49) EPHX2SLC6A2SLC6A4SLC6A3ABHD6

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