SCHEMBL7050825

SCHEMBL7050825

O=C(OCc1ccccc1)c1cc2c(n1Cc1ccc(Cl)c(Cl)c1)CCC/C2=N\OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
OPRK1 P41145 1/20 0.38
SRC P12931 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 1/20 0.36
ABCB11 O95342 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
SCHEMBL7047693 0.92 CCR2 (0.48) CCR2ABCB11
SCHEMBL7049658 0.86 BRD4 (0.50) CCR2KDM1ALMNAMAPTRAB9A
SCHEMBL7048041 0.80 CCR2 (0.45) CCR2ABCB11
SCHEMBL7049034 0.80 CCR2 (0.45) CCR2ABCB11
SCHEMBL7947149 0.78 BRD4 (0.46) CCR2KDM1ALMNAMAPTRAB9A
SCHEMBL7045477 0.78 CCR2 (0.44) CCR2LMNAMAPTRAB9ASIGMAR1
SCHEMBL7047624 0.76 CCR2 (0.39) CCR2KDM1ALMNAMAPTNPSR1
SCHEMBL7046244 0.76 CCR2 (0.40) CCR2KDM1ALMNAMAPTRAB9A
SCHEMBL7047694 0.72 BRD4 (0.50) CCR2LMNAMAPTRAB9AHRH3
SCHEMBL7051845 0.71 ABCB11 (0.40) CCR2LMNAMAPTRAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054667-B1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS ASTRAZENECA UK LTD (GB) 2003-04-16 EP disclosed
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 US disclosed
EP-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed