SCHEMBL4431100

SCHEMBL4431100

CC(=O)OCCC1CN(C(c2ccccc2)c2ccc(Cl)cc2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.45
HRH1 P35367 4/20 0.44
DRD3 P35462 3/20 0.44
KCNH2 Q12809 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HRH2 P25021 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
USP2 O75604 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TEK Q02763 1/20 0.44
CACNA2D1 P54289 5/20 0.43
CACNB1 Q02641 5/20 0.43
CACNA1B Q00975 4/20 0.43
CACNA1C Q13936 4/20 0.43
CACNA1G O43497 2/20 0.43
OPRD1 P41143 2/20 0.43
CACNA1A O00555 1/20 0.43

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
Hydrochloric Acid SCHEMBL21462452 0.99 HRH1 (0.45) SLC6A9HRH1DRD3KCNH2SLC6A2
Hydrochloric Acid SCHEMBL5686146 0.99 HRH1 (0.45) SLC6A9HRH1DRD3KCNH2SLC6A2
Hydrochloric Acid SCHEMBL6951585 0.99 HRH1 (0.45) SLC6A9HRH1DRD3KCNH2SLC6A2
SCHEMBL23724037 0.86 HRH1 (0.60) SLC6A9HRH1DRD3KCNH2SLC6A2
SCHEMBL3243434 0.86 HRH1 (0.60) SLC6A9HRH1DRD3KCNH2SLC6A2
Hydrochloric Acid SCHEMBL5682715 0.85 HRH1 (0.60) SLC6A9HRH1DRD3KCNH2SLC6A2
Hydrochloric Acid SCHEMBL3818204 0.85 HRH1 (0.60) SLC6A9HRH1DRD3KCNH2SLC6A2
SCHEMBL5182116 0.84 HRH1 (0.48) SLC6A9HRH1DRD3KCNH2SLC6A2
SCHEMBL5272706 0.84 HRH1 (0.50) SLC6A9HRH1DRD3KCNH2SLC6A2
SCHEMBL6631216 0.83 HRH1 (0.58) SLC6A9HRH1DRD3KCNH2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009057133-A2 A PROCESS FOR THE SYNTHESIS OF 2-[2-[4-[(4-CHLOROPHENYL)PHENYL METHYL]-1-PIPERAZINYL] ETHOXY ACETIC ACID GLENMARK GENERICS LIMITED (IN) 2009-05-07 WO disclosed
EP-1628964-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL] -1-PIPERAZINYL] ETHOXY] ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION Wockhardt Limited (IN) 2006-03-01 EP disclosed
WO-2004103982-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL]-1-PIPERAZINYL]ETHOXY]ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION WOCKHARDT LIMITED (US) 2004-12-02 WO disclosed
WO-2004050647-A2 POLYMORPHIC FORMS OF DIHYDROCHLORIDE SALTS OF CETIRIZINE AND PROCESSES FOR PREPARATION THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2004-06-17 WO disclosed