SCHEMBL9450737

SCHEMBL9450737

O=C(Cl)N1CC(Oc2ccccc2Cl)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
SLC6A4 P31645 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
SCD O00767 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RBP4 P02753 3/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 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
SCHEMBL2637084 0.86 EPHX2 (0.44) EPHX2SLC6A4SLC6A2SLC6A3GRIN1
SCHEMBL9450869 0.82 EPHX2 (0.48) EPHX2SLC6A4SLC6A2SLC6A3SCD
SCHEMBL9450771 0.82 OXTR (0.54) GRIN1GRIN2BRBP4
SCHEMBL2637086 0.82 RBP4 (0.48) EPHX2SLC6A4SLC6A2SLC6A3GRIN1
SCHEMBL9450748 0.81 RBP4 (0.51) RBP4
SCHEMBL2636677 0.79 EPHX2 (0.51) EPHX2SLC6A4SLC6A2SLC6A3SCD
SCHEMBL9477316 0.78 SCD (0.51) EPHX2SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL10608410 0.77 EPHX2 (0.46) EPHX2SCD
SCHEMBL21222267 0.77 SLC6A4 (0.57) EPHX2SLC6A4SLC6A2SLC6A3GRIN1
SCHEMBL20064210 0.77 SLC6A4 (0.57) EPHX2SLC6A4SLC6A2SLC6A3GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560905-A1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY. ROBINS CO INC A H (US) 1993-09-22 EP disclosed
WO-1992010474-A1 3-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-1-AZETIDINE CARBOXAMIDES HAVING ANTICONVULSANT ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1992-06-25 WO disclosed
US-5095014-A 3-(2-chloro-4-(trifluoromethyl)phenoxy)-1-azetidine carboxamides having anticonvulsant activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-03-10 US disclosed