SCHEMBL6152863

SCHEMBL6152863

CN1C2CCC1CC(N1CCN(C(=O)CC3=C(C(=O)O)C(c4c(Cl)cccc4Cl)C(C(=O)O)=C(CCc4ccccc4CN4CCOCC4)N3)CC1)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HRH3 Q9Y5N1 6/20 0.36
CYP2A13 Q16696 2/20 0.34
CCR3 P51677 1/20 0.33
NSD2 O96028 2/20 0.33
P2RX7 Q99572 1/20 0.33
PLA2G7 Q13093 1/20 0.33
MGLL Q99685 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6152262 0.92 HCRTR1 (0.35) MEN1KMT2AHRH3CYP2A13CCR3
SCHEMBL6152510 0.91 POLB (0.33) HRH3CCR3KDM4ETSHR
SCHEMBL6152408 0.89 CCR3 (0.36) MEN1KMT2ACCR3KDM4EALDH1A1
SCHEMBL6152865 0.89 MEN1 (0.36) MEN1KMT2AMGLLKDM4EALDH1A1
SCHEMBL6943528 0.88 CCR3 (0.36) MEN1KMT2ACCR3KDM4EALDH1A1
SCHEMBL6153146 0.86 CCR3 (0.34) MEN1KMT2ACCR3KDM4EALDH1A1
SCHEMBL6152430 0.86 CCR3 (0.34) MEN1KMT2ACCR3KDM4EALDH1A1
SCHEMBL7838559 0.85 SIGMAR1 (0.42) MEN1KMT2ACCR3MGLLKDM4E
SCHEMBL6152975 0.85 CCR3 (0.33) KMT2ACCR3KDM4EALDH1A1
SCHEMBL6152832 0.84 CCR3 (0.33) 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 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