SCHEMBL6947171

SCHEMBL6947171

COC(=O)C1=C(CCc2ccccc2C(=O)O)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
BDKRB1 P46663 1/20 0.32
SLC16A3 O15427 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
MGLL Q99685 3/20 0.31
MAPK1 P28482 1/20 0.31
ORAI1 Q96D31 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL6943069 0.91 CCR3 (0.35) CCR3KDM4EALDH1A1BDKRB1MAPK1
SCHEMBL6152139 0.91 CCR3 (0.35) CCR3KDM4EALDH1A1BDKRB1MAPK1
SCHEMBL6948042 0.91 RXFP1 (0.35) CCR3KDM4EALDH1A1BDKRB1MGLL
SCHEMBL7493254 0.91 SIGMAR1 (0.41) CCR3KDM4EALDH1A1BDKRB1MGLL
SCHEMBL6154279 0.89 CCR3 (0.33) CCR3KDM4EALDH1A1BDKRB1MAPK1
SCHEMBL7132284 0.89 LMNA (0.35) ALDH1A1MGLLTP53CHRM2
SCHEMBL6153116 0.88 CCR3 (0.33) CCR3BDKRB1MAPK1AVPR1A
SCHEMBL6942959 0.87 SIGMAR1 (0.35) CCR3BDKRB1
SCHEMBL6943352 0.87 MAPK1 (0.35) CCR3KDM4EALDH1A1BDKRB1MAPK1
SCHEMBL6152340 0.87 HTR1A (0.38) CCR3BDKRB1

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
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