SCHEMBL5200477

SCHEMBL5200477

CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3sc(Cl)c(Cl)c3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 19/20 1.00
CYSLTR1 Q9Y271 19/20 1.00
MEN1 O00255 1/20 0.74
RECQL P46063 1/20 0.74
BLM P54132 1/20 0.74
KMT2A Q03164 1/20 0.74
ABCB11 O95342 1/20 0.74
EGFR P00533 1/20 0.74
ESR1 P03372 1/20 0.74
NR3C1 P04150 1/20 0.74
FYN P06241 1/20 0.74
PGR P06401 1/20 0.74
ADRB2 P07550 1/20 0.74
ADRB1 P08588 1/20 0.74
ADRA2A P08913 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CYP2C8 P10632 1/20 0.74
CHRM1 P11229 1/20 0.74
ADRB3 P13945 1/20 0.74
ADRA2B P18089 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
SCHEMBL5200470 1.00 CYSLTR2 (1.00) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL5200473 1.00 CYSLTR2 (1.00) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8127534 0.94 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL9250136 0.94 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8122391 0.94 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL9255522 0.94 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8122390 0.94 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL8127536 0.94 CYSLTR2 (0.88) CYSLTR2CYSLTR1MEN1RECQLBLM
SCHEMBL7162733 0.90 CYSLTR2 (0.84) CYSLTR2CYSLTR1
SCHEMBL9390495 0.90 CYSLTR2 (1.00) CYSLTR2CYSLTR1

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 43 patents — showing the first 20. 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 claimed
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 claimed
EP-1707216-A1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors Sepracor Inc. (US) 2006-10-04 EP claimed
EP-1071463-B1 METHODS AND COMPOSITIONS USING TERFENADINE METABOLITES IN COMBINATION WITH LEUKOTRIENE INHIBITORS SEPRACOR INC (US) 2006-06-07 EP claimed
US-6790849-B2 Methods and compositions using optically pure (-) cetirizine in combination with leukotriene inhibitors or decongestants SEPRACOR INC. 2004-09-14 US claimed
US-20030083343-A1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SEPRACOR INC. 2003-05-01 US claimed
US-20020099058-A1 Methods and compositions using cetirizine in combination with leukotriene inhibitors or decongestants SEPRACOR INC. (US) 2002-07-25 US claimed
US-20020086854-A1 For treatment or prevention of inflammation or allergic disorders, such as asthma SEPRACOR, INC. 2002-07-04 US claimed
US-6372197-B1 Methods and compositions using norastemizole in combination with leukotriene inhibitors SEPRACOR INC. 2002-04-16 US claimed
US-6248308-B1 Methods of using norastemizole in combination with leukotriene inhibitors to treat or prevent asthma SEPRACOR INC. 2001-06-19 US claimed
US-6194431-B1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SUNOVION PHARMACEUTICALS INC. 2001-02-27 US claimed
EP-1071463-A1 METHODS AND COMPOSITIONS USING TERFENADINE METABOLITES IN COMBINATION WITH LEUKOTRIENE INHIBITORS SEPRACOR, INC. (US) 2001-01-31 EP claimed
WO-1999052554-A1 METHODS AND COMPOSITIONS USING TERFENADINE METABOLITES IN COMBINATION WITH LEUKOTRIENE INHIBITORS SEPRACOR INC. (US) 1999-10-21 WO claimed
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-1819329-A2 PHARMACEUTICAL FORMULATIONS COMPRISING PLECONARIL FOR THE TREATMENT OF AIRWAY DISEASES Schering Corporation (US) 2007-08-22 EP disclosed
EP-1069124-A1 2-Benzimidazolylamine compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-01-17 EP disclosed
US-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 US disclosed
WO-1995018132-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-07-06 WO disclosed
WO-1994014815-A1 DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-07-07 WO disclosed