SCHEMBL1446552

SCHEMBL1446552

O=C(O)COCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.85
CACNA2D1 P54289 8/20 0.70
CACNB1 Q02641 8/20 0.70
CACNA1B Q00975 7/20 0.70
CACNA1G O43497 5/20 0.70
CACNA1C Q13936 4/20 0.70
HRH1 P35367 3/20 0.69
SLC6A2 P23975 1/20 0.69
HRH2 P25021 1/20 0.69
HTR2A P28223 1/20 0.69
SLC6A4 P31645 1/20 0.69
DRD3 P35462 1/20 0.69
HTR2B P41595 1/20 0.69
SLC6A3 Q01959 1/20 0.69
TEK Q02763 1/20 0.69
KCNH2 Q12809 1/20 0.69
USP2 O75604 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
CACNA1A O00555 1/20 0.68
SERPINE1 P05121 1/20 0.63

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
SCHEMBL1446803 1.00 NPC1 (0.85) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL7665618 0.96 NPC1 (0.78) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL1446717 0.92 NPC1 (0.71) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL15703692 0.92 NPC1 (0.71) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL13574307 0.87 CACNA2D1 (0.65) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL15703563 0.87 CACNA2D1 (0.65) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL15703562 0.87 CACNA2D1 (0.65) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL18326949 0.86 HRH1 (0.81) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL15703530 0.86 NPC1 (0.63) NPC1CACNA2D1CACNB1CACNA1BCACNA1G
SCHEMBL15703531 0.86 NPC1 (0.63) NPC1CACNA2D1CACNB1CACNA1BCACNA1G

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
EP-2297122-B1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-05-21 EP disclosed
EP-2297122-B1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-05-21 EP disclosed
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
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