Epinastine

Epinastine

SCHEMBL16093961

NC1=NC[C@@H]2c3ccccc3Cc3ccccc3N12.O=[N+]([O-])O

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Epinastine. 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 11/20 0.38
ADRA1A P35348 6/20 0.81
ADRA2A P08913 4/20 0.81
HTR1A P08908 3/20 0.81
OPRM1 P35372 3/20 0.81
DRD1 P21728 2/20 0.81
SLC6A2 P23975 2/20 0.81
SLC6A4 P31645 2/20 0.81
KCNH2 Q12809 2/20 0.81
SLC22A2 O15244 1/20 0.81
GABRA1 P14867 1/20 0.81
GABRA2 P47869 1/20 0.81
GABRB2 P47870 1/20 0.81
SLC47A2 Q86VL8 1/20 0.81
SLC47A1 Q96FL8 1/20 0.81
HTR2A P28223 13/20 0.38
HTR2C P28335 13/20 0.38
DRD2 P14416 5/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37

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
Epinastine SCHEMBL16093958 1.00 ADRA1A (0.81) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL18794 0.90 ADRA1A (1.00) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL29945140 0.90 ADRA1A (1.00) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL357588 0.90 ADRA1A (1.00) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL122751 0.88 ADRA1A (0.97) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL3989750 0.88 ADRA1A (0.97) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL3989748 0.88 ADRA1A (0.97) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL4292213 0.88 ADRA1A (0.97) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL30678575 0.88 ADRA1A (0.97) ADRA1AADRA2AHTR1AOPRM1DRD1
Epinastine SCHEMBL122749 0.88 ADRA1A (0.97) ADRA1AADRA2AHTR1AOPRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968368-A2 CRANIAL DELIVERY OF PHARMACEUTICALS Glia LLC (US) 2016-01-20 EP disclosed
WO-2014152385-A2 CRANIAL DELIVERY OF PHARMACEUTICALS GLIA, LLC (US) 2014-09-25 WO disclosed