SCHEMBL6152414

SCHEMBL6152414

COC(=O)C1=C(CCc2ccccc2COCCN2CCCC2)NC(CC(=O)O)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.37
ADRA2A P08913 4/20 0.36
ADRA1A P35348 4/20 0.36
ADRA2C P18825 3/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1B P35368 3/20 0.36
HTR1A P08908 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
TBXA2R P21731 2/20 0.36
SLC6A2 P23975 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
KCNK2 O95069 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRB2 P07550 1/20 0.36
ABCB1 P08183 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL6152882 0.93 POLB (0.39) PTAFRADRA2AADRA1AADRA2CADRA1D
SCHEMBL6153062 0.89 HPGD (0.34) HPGDMEN1GAAKMT2AHTR4
SCHEMBL6153190 0.87 SMN1; SMN2 (0.37) PTAFRADRA2AADRA1AADRA2CADRA1D
SCHEMBL6155788 0.84 PTAFR (0.33) PTAFRADRA2AADRA1AADRA2CADRA1D
SCHEMBL7245208 0.82 POLB (0.39) MEN1KMT2AL3MBTL1KDM4EHRH3
SCHEMBL6152944 0.82 ADRA1A (0.36) ADRA2AADRA1AADRA2CADRA1DADRA1B
SCHEMBL7245220 0.81 TBXA2R (0.47) PTAFRADRA2AADRA1AADRA2CADRA1D
SCHEMBL6154503 0.79 TBXA2R (0.36) PTAFRADRA2AADRA1AADRA2CADRA1D
SCHEMBL6152973 0.79 PTAFR (0.32) PTAFRADRA2AADRA1AADRA2CADRA1D
SCHEMBL6153142 0.79 CYP2C9 (0.37) ADRA2AADRA1AADRA2CADRA1DADRA1B

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
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO disclosed