SCHEMBL9596132

SCHEMBL9596132

CC(C)=CCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
MCHR1 Q99705 1/20 0.45
TEAD1 P28347 1/20 0.43
CHRNA7 P36544 9/20 0.42
EPHX2 P34913 2/20 0.42
LIPE Q05469 1/20 0.42
ACACB O00763 3/20 0.42
SCN9A Q15858 1/20 0.41
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL9596274 0.87 EPHX2 (0.46) EPHX2ACACBSCN9A
SCHEMBL9595627 0.86 KCNH2 (0.45) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL9595634 0.86 KCNH2 (0.45) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL6586350 0.86 TEAD1 (0.50) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL9596025 0.84 KCNH2 (0.48) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL10918806 0.83 KCNH2 (0.47) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL9596523 0.83 KCNH2 (0.46) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL9596316 0.82 KCNH2 (0.47) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL9596881 0.81 KCNH2 (0.47) KCNH2MCHR1TEAD1CHRNA7EPHX2
SCHEMBL9595931 0.81 KCNH2 (0.47) KCNH2MCHR1TEAD1CHRNA7EPHX2

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