Bepotastine

Bepotastine

SCHEMBL4001237

Cc1ccc(S(=O)(=O)O)cc1.O.O.O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Bepotastine. 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 1/20 0.42
BCHE P06276 5/20 0.46
DRD2 P14416 9/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
NPC1 O15118 1/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
ABCB1 P08183 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42

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
Bepotastine SCHEMBL4005011 0.99 BCHE (0.47) BCHEDRD2ADRA1DADRA1AADRA1B
Bepotastine SCHEMBL1649103 0.94 BCHE (0.50) BCHEDRD2ADRA1DADRA1AADRA1B
Bepotastine SCHEMBL29357467 0.94 BCHE (0.50) BCHEDRD2ADRA1DADRA1AADRA1B
Bepotastine SCHEMBL28344323 0.94 BCHE (0.50) BCHEDRD2ADRA1DADRA1AADRA1B
Bepotastine SCHEMBL1287638 0.94 BCHE (0.50) BCHEDRD2ADRA1DADRA1AADRA1B
SCHEMBL9533303 0.91 BCHE (0.45) BCHEDRD2ADRA1DADRA1AADRA1B
Bepotastine SCHEMBL29459 0.89 BCHE (0.55) BCHEDRD2ADRA1DADRA1AADRA1B
Bepotastine SCHEMBL726880 0.89 BCHE (0.55) BCHEDRD2ADRA1DADRA1AADRA1B
SCHEMBL20907012 0.89 ADRA1D (0.51) BCHEDRD2ADRA1DADRA1AADRA1B
Bepotastine SCHEMBL30200949 0.89 BCHE (0.55) BCHEDRD2ADRA1DADRA1AADRA1B

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
WO-2009075504-A2 CRYSTALLINE FORM OF BEPOTASTINE P-TOLUENESULFONATE, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HANMI PHARM. CO., LTD. (KR) 2009-06-18 WO claimed
WO-2009075504-A2 CRYSTALLINE FORM OF BEPOTASTINE P-TOLUENESULFONATE, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HANMI PHARM. CO., LTD. (KR) 2009-06-18 WO disclosed