SCHEMBL9596242

SCHEMBL9596242

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
SCN9A Q15858 1/20 0.48
MGLL Q99685 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
USP30 Q70CQ3 1/20 0.41
CHRNA7 P36544 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACSL1 P33121 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
SCHEMBL9596885 0.86 EPHX2 (0.50) EPHX2SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL9450842 0.86 EPHX2 (0.50) EPHX2SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL9596728 0.85 SLC6A2 (0.45) SCN9ASLC6A2SLC6A4SLC6A3USP30
SCHEMBL9596417 0.85 SCN9A (0.48) SCN9AMGLLSLC6A2SLC6A4SLC6A3
SCHEMBL9596043 0.84 USP30 (0.54) EPHX2USP30
SCHEMBL9596956 0.83 SLC6A2 (0.51) EPHX2SCN9AMGLLSLC6A2SLC6A4
SCHEMBL9596658 0.83 EPHX2 (0.52) EPHX2SCN9AMGLLSLC6A2SLC6A4
SCHEMBL9596501 0.83 OPRK1 (0.57)
SCHEMBL9597527 0.82 EPHX2 (0.45) EPHX2SCN9AMGLLSLC6A2SLC6A4
Fluzinamide SCHEMBL30306317 0.82 EPHX2 (0.52) EPHX2SCN9AMGLLSLC6A2SLC6A4

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 5 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-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