SCHEMBL6152996

SCHEMBL6152996

CN1C(CCc2ccccc2COCCN2CCOCC2)=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C1CC(=O)N1CCN(C2CC3CCC(C2)N3C)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
HRH3 Q9Y5N1 3/20 0.32
CCR3 P51677 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 2/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30

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
SCHEMBL6153099 0.94 CCR3 (0.33) CCR3SIGMAR1L3MBTL1KDM4EALDH1A1
SCHEMBL6152265 0.91 MEN1 (0.37) HRH3CCR3L3MBTL1KDM4ETSHR
SCHEMBL6152354 0.90 CCR3 (0.33) CCR3KDM4EALDH1A1
SCHEMBL6153058 0.89 CCR3 (0.33) CCR3KDM4EALDH1A1
SCHEMBL6153060 0.87 BDKRB1 (0.34) CCR3KDM4EALDH1A1
SCHEMBL6152545 0.87 CCR3 (0.32) CCR3KDM4EALDH1A1
SCHEMBL6943073 0.84 CCR3 (0.37) CCR3KDM4EALDH1A1
SCHEMBL6152358 0.84 BDKRB1 (0.32)
SCHEMBL9080882 0.83 SIGMAR1 (0.42) CCR3SIGMAR1KDM4EALDH1A1
SCHEMBL6154290 0.83 CCR3 (0.35) CCR3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US claimed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP claimed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO claimed
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US 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