SCHEMBL7046244

SCHEMBL7046244

[N-]=[N+]=C1CCc2c(cc(C(=O)OCc3ccccc3)n2Cc2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SCD O00767 1/20 0.38
KDM1A O60341 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB11 O95342 1/20 0.36
PKM P14618 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL7049658 0.82 BRD4 (0.50) CCR2LMNAGAAMAPTHTT
SCHEMBL7047624 0.78 CCR2 (0.39) CCR2LMNAGAAMAPTHTT
SCHEMBL7050825 0.76 CCR2 (0.39) CCR2LMNAGAAMAPTHTT
SCHEMBL8095077 0.72 MAPT (0.40) LMNAMAPTSMN1; SMN2NPSR1MEN1
SCHEMBL7947149 0.69 BRD4 (0.46) CCR2LMNAGAAMAPTHTT
SCHEMBL7047694 0.69 BRD4 (0.50) CCR2LMNAMAPTSIGMAR1NPC1
SCHEMBL7047693 0.67 CCR2 (0.48) CCR2ABCB11
SCHEMBL7052377 0.65 CCR2 (0.53) CCR2LMNAMAPTRAB9AABCB11
SCHEMBL7047270 0.65 MAPT (0.48) CCR2LMNAGAAMAPTHTT
SCHEMBL289069 0.65 CAPN1 (0.51) LMNAMAPTHTTSMN1; SMN2MEN1

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-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