SCHEMBL9450752

SCHEMBL9450752

Cc1cccc(Cl)c1OC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.40
HTR1A P08908 3/20 0.40
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
CHRM2 P08172 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
DRD3 P35462 2/20 0.38
KCNH2 Q12809 2/20 0.38
PDE9A O76083 1/20 0.38
BCL2 P10415 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL9682075 0.90 OPRM1 (0.41) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL9450757 0.79 SLC6A4 (0.45) SLC6A2HTR1ASLC6A3SLC6A4CHRM2
SCHEMBL6966240 0.77 HSP90AA1 (0.36) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL6954699 0.77 CHRM2 (0.35) SLC6A2HTR1ASLC6A3SLC6A4CHRM2
SCHEMBL6970505 0.76 CYP2C19 (0.39) SLC6A2HTR1ASLC6A3SLC6A4CHRM2
SCHEMBL6969377 0.75 OPRM1 (0.37) SLC6A2HTR1ASLC6A3SLC6A4CHRM2
SCHEMBL1769006 0.73 SLC6A3 (0.46) SLC6A2SLC6A3SLC6A4CHRM2ADRA2A
SCHEMBL10808078 0.73 OPRM1 (0.44) SLC6A2SLC6A3CHRM2ADRA2ACHRM1
SCHEMBL6584924 0.73 CHRM2 (0.49) SLC6A2HTR1ASLC6A3SLC6A4CHRM2
SCHEMBL1740319 0.72 SLC6A4 (0.47) SLC6A2SLC6A3SLC6A4KCNH2PDE9A

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