Azelastine

Azelastine

SCHEMBL4433245

CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)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 Azelastine. 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 17/20 1.00
ADRA1A P35348 17/20 1.00
ADRA1B P35368 17/20 1.00
HRH3 Q9Y5N1 12/20 1.00
KCNH2 Q12809 6/20 1.00
ADRA2A P08913 2/20 1.00
CHRM1 P11229 2/20 1.00
ADRA2B P18089 2/20 1.00
HTR2A P28223 2/20 1.00
DRD3 P35462 2/20 1.00
ABCB1 P08183 2/20 1.00
CHRM2 P08172 1/20 1.00
ADRB1 P08588 1/20 1.00
CYP2D6 P10635 1/20 1.00
GABRA1 P14867 1/20 1.00
ADRA2C P18825 1/20 1.00
SLC6A2 P23975 1/20 1.00
HTR2C P28335 1/20 1.00
SLC6A4 P31645 1/20 1.00
OPRM1 P35372 1/20 1.00

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
Azelastine SCHEMBL4240 1.00 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL17803891 1.00 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL17223862 1.00 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL30910968 1.00 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL29370712 1.00 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL4239 1.00 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL36770 0.99 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL19458799 0.99 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL4012083 0.99 ADRA1A (0.98) ADRA1AHRH1ADRA1BHRH3KCNH2
Azelastine SCHEMBL36771 0.99 ADRA1A (1.00) ADRA1AHRH1ADRA1BHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102124332-A Separation and manipulation of chiral objects DYNAMIC CONNECTIONS LLC 2011-07-13 CN disclosed
EP-2134697-A2 SEPARATION AND MANIPULATION OF A CHIRAL OBJECT Dynamic Connections, Llc (US) 2009-12-23 EP disclosed
WO-2008130980-A2 SEPARATION AND MANIPULATION OF A CHIRAL OBJECT DYNAMIC CONNECTIONS, LLC (US) 2008-10-30 WO disclosed