Acrivastine

Acrivastine

SCHEMBL2832062

Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

The experimentally established mechanism targets of Acrivastine. 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 3/20 0.98
ADRA1A P35348 3/20 0.98
SLC6A4 P31645 2/20 0.98
OPRK1 P41145 2/20 0.98
PTGS2 P35354 1/20 0.98
LMNA P02545 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
GMNN O75496 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
ALDH1A1 P00352 2/20 0.57
ADRA2B P18089 2/20 0.57
CHRM1 P11229 1/20 0.57
KCNH2 Q12809 1/20 0.57
MEN1 O00255 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
KMT2A Q03164 1/20 0.57

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
Acrivastine SCHEMBL4703 0.99 ADRA1A (1.00) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL9051626 0.99 ADRA1A (1.00) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL15392862 0.99 ADRA1A (1.00) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL4702 0.99 ADRA1A (1.00) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL29414102 0.99 ADRA1A (1.00) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL11034921 0.99 ADRA1A (1.00) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL5053832 0.99 ADRA1A (1.00) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL9561912 0.97 ADRA1A (0.96) ADRA1AHRH1SLC6A4OPRK1PTGS2
Acrivastine SCHEMBL9561915 0.97 ADRA1A (0.96) ADRA1AHRH1SLC6A4OPRK1PTGS2
SCHEMBL10505907 0.91 SLC6A4 (0.84) ADRA1AHRH1SLC6A4OPRK1PTGS2

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-2010097172-A1 NEW TETRAHYDROPYRAZOLO[3,4-C]ISOQUINOLIN-5-AMINE DERIVATIVES ALMIRALL, S.A. (ES) 2010-09-02 WO disclosed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed