SCHEMBL9596602

SCHEMBL9596602

NC(=O)c1cccc(OC2CNC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 16/20 0.59
KCNH2 Q12809 13/20 0.55
OPRM1 P35372 7/20 0.55
PARP1 P09874 1/20 0.54
OPRD1 P41143 3/20 0.52
TNKS O95271 1/20 0.51
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51

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
SCHEMBL30344794 0.86 CHEK2 (0.57) OPRK1KCNH2OPRM1OPRD1PARP10
SCHEMBL12735785 0.85 OPRK1 (0.61) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL17865584 0.83 OPRK1 (0.67) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL10804966 0.82 OPRK1 (0.60) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL16618230 0.81 OPRK1 (0.59) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL9596396 0.80 PARP10 (0.67) OPRK1KCNH2PARP1PARP15PARP14
SCHEMBL12735827 0.77 OPRK1 (0.53) OPRK1KCNH2OPRM1OPRD1
SCHEMBL18871751 0.77 OPRK1 (0.69) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL1377451 0.77 OPRK1 (0.57) OPRK1KCNH2OPRM1PARP1OPRD1
SCHEMBL30567549 0.77 OPRK1 (0.57) OPRK1KCNH2OPRM1PARP1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0131435-B1 PROCESS FOR PREPARING 3-PHENOXY-1-AZETIDINES AND CARBOXAMIDE DERIVATIVES A.H. ROBINS COMPANY, INCORPORATED (US) 1987-10-07 EP disclosed
EP-0102740-B1 N-FORMYL AND N-HYDROXYMETHYL-3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR PREPARATION AND USE A.H. ROBINS COMPANY, INCORPORATED (US) 1986-11-05 EP disclosed
EP-0102194-B1 3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR USE AND PREPARATION A.H. ROBINS COMPANY, INCORPORATED (US) 1986-10-22 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
US-4594189-A Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A. H. ROBINS COMPANY, INC. (US) 1986-06-10 US disclosed
US-4571393-A ANTICONVULSANT TREATMENT FOR MAMMALS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-18 US disclosed
US-4505907-A ANTICONVULSANTS A. H. ROBINS COMPANY, INC. (US) 1985-03-19 US disclosed
EP-0131435-A1 Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A.H. ROBINS COMPANY, INCORPORATED (US) 1985-01-16 EP disclosed
EP-0102740-A1 N-formyl and n-hydroxymethyl-3-phenoxy-1-azetidinecarboxamides and their preparation and use A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-14 EP disclosed
EP-0102194-A1 3-Phenoxy-1-azetidinecarboxamides and their use and preparation A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-07 EP disclosed
US-4226861-A ANTICONVULSANTS A. H. ROBINS COMPANY, INC. (US) 1980-10-07 US disclosed