SCHEMBL6152430

SCHEMBL6152430

CCN(CC)Cc1ccccc1CCC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)N1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MC4R P32245 1/20 0.32
MAPK1 P28482 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
BDKRB1 P46663 1/20 0.31
AVPR1A P37288 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MCHR1 Q99705 1/20 0.30
HSD11B1 P28845 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6153116 0.92 CCR3 (0.33) CCR3MC4RMAPK1BCHEACHE
SCHEMBL6152408 0.90 CCR3 (0.36) CCR3KDM4EALDH1A1MAPK1BDKRB1
SCHEMBL6152456 0.90 BDKRB1 (0.35) CCR3BDKRB1
SCHEMBL6943528 0.89 CCR3 (0.36) CCR3KDM4EALDH1A1MC4RMAPK1
SCHEMBL6153146 0.88 CCR3 (0.34) CCR3KDM4EALDH1A1MAPK1MEN1
SCHEMBL7838559 0.87 SIGMAR1 (0.42) CCR3KDM4EALDH1A1MC4RMEN1
SCHEMBL6152315 0.86 BDKRB1 (0.35) MC4RBDKRB1
SCHEMBL6152863 0.86 MEN1 (0.36) CCR3KDM4EALDH1A1MEN1KMT2A
SCHEMBL6152832 0.86 CCR3 (0.33) CCR3KDM4EALDH1A1MAPK1BDKRB1
SCHEMBL6152716 0.85 CCR3 (0.33) CCR3KDM4EALDH1A1MAPK1BDKRB1

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
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP claimed
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed