SCHEMBL1446715

SCHEMBL1446715

O=C(Cl)COCC(=O)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
BCL2 P10415 7/20 0.48
BAK1 Q16611 5/20 0.48
GRM5 P41594 1/20 0.46
TACR2 P21452 1/20 0.46
TACR1 P25103 1/20 0.46
TACR3 P29371 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
BCL2L1 Q07817 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL1446676 0.91 LMNA (0.53) HTR7LMNAPOLBBCL2BAK1
SCHEMBL1958329 0.82 HTR7 (0.55) HTR7LMNAPOLBBCL2BAK1
SCHEMBL3954643 0.80 CACNA1G (0.55) HTR7LMNAPOLBBCL2BAK1
SCHEMBL6500422 0.79 CACNA2D1 (0.56) HTR7LMNAPOLBBCL2BAK1
SCHEMBL1137904 0.78 HTR7 (0.52) HTR7LMNAPOLBBCL2BAK1
Hydrochloric Acid SCHEMBL5624913 0.77 HTR7 (0.51) HTR7LMNAPOLBBCL2BAK1
SCHEMBL376877 0.77 VEGFA (0.58) HTR7POLBBCL2BAK1TACR2
SCHEMBL219876 0.77 HRH1 (0.59) HTR7BCL2BAK1ALDH1A1BCL2L1
Hydrochloric Acid SCHEMBL5686168 0.76 HRH1 (0.60) HTR7BCL2BAK1ALDH1A1BCL2L1
SCHEMBL1569359 0.76 HTR7 (0.50) HTR7BCL2BAK1ALDH1A1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297122-A1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2011-03-23 EP disclosed
WO-2009150147-A1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2009-12-17 WO disclosed