SCHEMBL5603264

SCHEMBL5603264

COC(=O)C(C)(C)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.82
LMNA P02545 3/20 0.82
DRD3 P35462 3/20 0.82
KCNH2 Q12809 3/20 0.82
HTR2A P28223 2/20 0.82
HTR2B P41595 2/20 0.82
BLM P54132 2/20 0.82
CNR1 P21554 1/20 0.82
APEX1 P27695 1/20 0.82
PDE4A P27815 1/20 0.82
PDE3A Q14432 1/20 0.82
DRD2 P14416 2/20 0.80
ALOX15 P16050 1/20 0.80
HSD17B10 Q99714 1/20 0.80
CYP2J2 P51589 4/20 0.74
MEN1 O00255 1/20 0.74
NPC1 O15118 1/20 0.74
CACNA1F O60840 1/20 0.74
GMNN O75496 1/20 0.74
USP2 O75604 1/20 0.74

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
SCHEMBL1969969 1.00 HRH1 (0.82) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL5603765 1.00 HRH1 (0.82) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL6826935 0.93 LMNA (0.71) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL25883699 0.93 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL2454926 0.92 HRH1 (0.69) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL18609222 0.91 HRH1 (0.68) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL5999820 0.91 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL5999809 0.91 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL1968090 0.91 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
Fexofenadine SCHEMBL1561082 0.90 HRH1 (1.00) HRH1LMNADRD3KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404715-B2 Methods and compositions using racemic, (R)-, and (S)-fexofenadine in combination with leukotriene inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120149730-A1 METHODS AND COMPOSITIONS USING RACEMIC, (R)-, AND (S)-FEXOFENADINE IN COMBINATION WITH LEUKOTRIENE INHIBITORS RUBIN PAUL D (US) 2012-06-14 US disclosed
EP-1214937-B1 Terfenadine carboxylate and the treatment of dermal irritation SEPRACOR INC (US) 2007-05-30 EP disclosed
EP-1707216-A1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors Sepracor Inc. (US) 2006-10-04 EP disclosed
EP-1688142-A1 Terfenadine carboxylate and the treatment of dermal irritation Sepracor Inc. (US) 2006-08-09 EP disclosed
EP-1071463-B1 METHODS AND COMPOSITIONS USING TERFENADINE METABOLITES IN COMBINATION WITH LEUKOTRIENE INHIBITORS SEPRACOR INC (US) 2006-06-07 EP disclosed
EP-0815860-B1 Terfenadine carboxylate and the treatment of allergic disorders SEPRACOR INC (US) 2006-04-12 EP disclosed
US-20030083343-A1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SEPRACOR INC. 2003-05-01 US disclosed
US-6509353-B1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SEPRACOR INC. 2003-01-21 US disclosed
EP-1214937-A2 Terfenadine carboxylate and the treatment of dermal irritation Sepracor Inc. (US) 2002-06-19 EP disclosed
US-6194431-B1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SUNOVION PHARMACEUTICALS INC. 2001-02-27 US disclosed
EP-0701443-B2 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC (US) 2000-11-22 EP disclosed
JP-2000086515-A MEDICINAL COMPOSITION CONTAINING OPTICALLY PURE TERFENADINECARBOXYLATE AND USED FOR TREATING ALLERGIC DISEASE SEPRACOR INC 2000-03-28 JP disclosed
EP-0701443-B1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC (US) 1998-01-21 EP disclosed
EP-0815860-A2 Terfenadine carboxylate and the treatment of allergic disorders SEPRACOR, INC. (US) 1998-01-07 EP disclosed
EP-0701443-A1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR, INC. (US) 1996-03-20 EP disclosed
US-5375693-A Methods and compositions for treating allergic disorders and other disorders metabolic derivatives of terfenadine SEPRACOR, INC. (US) 1994-12-27 US disclosed
WO-1994003170-A1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC. (US) 1994-02-17 WO disclosed