Fexofenadine

Fexofenadine

SCHEMBL7104316

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Fexofenadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 6/20 1.00
KCNH2 Q12809 4/20 1.00
LMNA P02545 3/20 1.00
DRD3 P35462 3/20 1.00
HTR2A P28223 2/20 1.00
HTR2B P41595 2/20 1.00
BLM P54132 2/20 1.00
CNR1 P21554 1/20 1.00
APEX1 P27695 1/20 1.00
PDE4A P27815 1/20 1.00
PDE3A Q14432 1/20 1.00
DRD2 P14416 2/20 0.98
ALOX15 P16050 1/20 0.98
HSD17B10 Q99714 1/20 0.98
CYP2J2 P51589 3/20 0.80
MEN1 O00255 1/20 0.80
NPC1 O15118 1/20 0.80
CACNA1F O60840 1/20 0.80
GMNN O75496 1/20 0.80
USP2 O75604 1/20 0.80

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
Fexofenadine SCHEMBL4901 1.00 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL1972366 1.00 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL4900 1.00 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL1561082 1.00 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL3178320 1.00 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL9943444 0.99 HRH1 (0.98) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL16651410 0.99 HRH1 (0.98) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL16652202 0.99 HRH1 (0.98) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL1395674 0.99 HRH1 (0.98) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL20531399 0.99 HRH1 (0.98) HRH1KCNH2LMNADRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003101476-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PHARMACEUTICALS INC. (US) 2003-12-11 WO disclosed